6-[5-[5-[5-[5-[5-[6-(2-methylprop-2-enoyloxy)hexyl]thiophen-2-yl]thiophen-2-yl]thieno[3,2-b]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]hexyl 2-methylprop-2-enoate

C42H44O4S6 — CID 58991631

IUPAC6-[5-[5-[5-[5-[5-[6-(2-methylprop-2-enoyloxy)hexyl]thiophen-2-yl]thiophen-2-yl]thieno[3,2-b]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]hexyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCc1ccc(-c2ccc(-c3cc4sc(-c5ccc(-c6ccc(CCCCCCOC(=O)C(=C)C)s6)s5)cc4s3)s2)s1
InChIInChI=1S/C42H44O4S6/c1-27(2)41(43)45-23-11-7-5-9-13-29-15-17-31(47-29)33-19-21-35(49-33)37-25-39-40(51-37)26-38(52-39)36-22-20-34(50-36)32-18-16-30(48-32)14-10-6-8-12-24-46-42(44)28(3)4/h15-22,25-26H,1,3,5-14,23-24H2,2,4H3
InChIKeyINVNFTNMEXGCNN-UHFFFAOYSA-N
MW805.21 g/mol
LogP14.32
Rot. Bonds20

About 6-[5-[5-[5-[5-[5-[6-(2-methylprop-2-enoyloxy)hexyl]thiophen-2-yl]thiophen-2-yl]thieno[3,2-b]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]hexyl 2-methylprop-2-enoate

6-[5-[5-[5-[5-[5-[6-(2-methylprop-2-enoyloxy)hexyl]thiophen-2-yl]thiophen-2-yl]thieno[3,2-b]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]hexyl 2-methylprop-2-enoate (PubChem CID 58991631) has the molecular formula C42H44O4S6 and a molecular weight of 805.21 g/mol. Its IUPAC name is 6-[5-[5-[5-[5-[5-[6-(2-methylprop-2-enoyloxy)hexyl]thiophen-2-yl]thiophen-2-yl]thieno[3,2-b]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]hexyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name6-[5-[5-[5-[5-[5-[6-(2-methylprop-2-enoyloxy)hexyl]thiophen-2-yl]thiophen-2-yl]thieno[3,2-b]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]hexyl 2-methylprop-2-enoate
PubChem CID58991631
Molecular FormulaC42H44O4S6
Molecular Weight805.21 g/mol
Exact Mass804.16
IUPAC Name6-[5-[5-[5-[5-[5-[6-(2-methylprop-2-enoyloxy)hexyl]thiophen-2-yl]thiophen-2-yl]thieno[3,2-b]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]hexyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCc1ccc(-c2ccc(-c3cc4sc(-c5ccc(-c6ccc(CCCCCCOC(=O)C(=C)C)s6)s5)cc4s3)s2)s1
InChIInChI=1S/C42H44O4S6/c1-27(2)41(43)45-23-11-7-5-9-13-29-15-17-31(47-29)33-19-21-35(49-33)37-25-39-40(51-37)26-38(52-39)36-22-20-34(50-36)32-18-16-30(48-32)14-10-6-8-12-24-46-42(44)28(3)4/h15-22,25-26H,1,3,5-14,23-24H2,2,4H3
InChIKeyINVNFTNMEXGCNN-UHFFFAOYSA-N
XLogP14.32
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.21
LogP ≤ 514.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 6-[5-[5-[5-[5-[5-[6-(2-methylprop-2-enoyloxy)hexyl]thiophen-2-yl]thiophen-2-yl]thieno[3,2-b]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]hexyl 2-methylprop-2-enoate with MolForge

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Related Compounds

6-[4-[5-[5-[4-[6-(2-methylprop-2-enoyloxy)hexoxy]phenyl]thiophen-2-yl]thiophen-2-yl]phenoxy]hexyl 2-methylprop-2-enoate
CID 59207320
2,5-bis(5-octylthiophen-2-yl)thieno[3,2-b]thiophene
CID 71014668
8-(3,4-dihydroxyphenyl)octyl 2-methylprop-2-enoate
CID 177344511
4-(3,4-dihydroxyphenyl)butyl 2-methylprop-2-enoate
CID 167431322
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
7-(7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl)heptyl 2-methylprop-2-enoate
CID 163959743
4-phenylbutyl 2-methylprop-2-enoate
CID 22507477
10-(3,4,5-trihydroxyphenyl)decyl 2-methylprop-2-enoate
CID 177344521
2-(2-methylprop-2-enoyloxy)ethyl 5-[4-hexyl-5-[4-hexyl-5-[4-hexyl-5-[5-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylate
CID 58978180
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
4-pyridin-4-ylbutyl 2-methylprop-2-enoate
CID 139844492
4-[5-(2-methylprop-2-enoyloxy)pentyl]benzoic acid
CID 155394997

Frequently Asked Questions

What is the IUPAC name of 6-[5-[5-[5-[5-[5-[6-(2-methylprop-2-enoyloxy)hexyl]thiophen-2-yl]thiophen-2-yl]thieno[3,2-b]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]hexyl 2-methylprop-2-enoate?
The IUPAC name of 6-[5-[5-[5-[5-[5-[6-(2-methylprop-2-enoyloxy)hexyl]thiophen-2-yl]thiophen-2-yl]thieno[3,2-b]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]hexyl 2-methylprop-2-enoate (CID 58991631) is 6-[5-[5-[5-[5-[5-[6-(2-methylprop-2-enoyloxy)hexyl]thiophen-2-yl]thiophen-2-yl]thieno[3,2-b]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]hexyl 2-methylprop-2-enoate.
What is the SMILES notation for 6-[5-[5-[5-[5-[5-[6-(2-methylprop-2-enoyloxy)hexyl]thiophen-2-yl]thiophen-2-yl]thieno[3,2-b]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]hexyl 2-methylprop-2-enoate?
The canonical SMILES for 6-[5-[5-[5-[5-[5-[6-(2-methylprop-2-enoyloxy)hexyl]thiophen-2-yl]thiophen-2-yl]thieno[3,2-b]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]hexyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCc1ccc(-c2ccc(-c3cc4sc(-c5ccc(-c6ccc(CCCCCCOC(=O)C(=C)C)s6)s5)cc4s3)s2)s1.
What is the InChIKey of 6-[5-[5-[5-[5-[5-[6-(2-methylprop-2-enoyloxy)hexyl]thiophen-2-yl]thiophen-2-yl]thieno[3,2-b]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]hexyl 2-methylprop-2-enoate?
The InChIKey is INVNFTNMEXGCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H44O4S6/c1-27(2)41(43)45-23-11-7-5-9-13-29-15-17-31(47-29)33-19-21-35(49-33)37-25-39-40(51-37)26-38(52-39)36-22-20-34(50-36)32-18-16-30(48-32)14-10-6-8-12-24-46-42(44)28(3)4/h15-22,25-26H,1,3,5-14,23-24H2,2,4H3.
What are the key properties of 6-[5-[5-[5-[5-[5-[6-(2-methylprop-2-enoyloxy)hexyl]thiophen-2-yl]thiophen-2-yl]thieno[3,2-b]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]hexyl 2-methylprop-2-enoate?
6-[5-[5-[5-[5-[5-[6-(2-methylprop-2-enoyloxy)hexyl]thiophen-2-yl]thiophen-2-yl]thieno[3,2-b]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]hexyl 2-methylprop-2-enoate has a molecular weight of 805.21 g/mol, XLogP of 14.32, 20 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[5-[5-[5-[5-[6-(2-methylprop-2-enoyloxy)hexyl]thiophen-2-yl]thiophen-2-yl]thieno[3,2-b]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]hexyl 2-methylprop-2-enoate is sourced from PubChem (CID 58991631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).