ethane;(3Z)-8,8,9-trimethyl-5-methylidene-6-propan-2-ylundeca-1,3-diene

C20H38 — CID 178166429

IUPACethane;(3Z)-8,8,9-trimethyl-5-methylidene-6-propan-2-ylundeca-1,3-diene
SMILESC=C/C=C\C(=C)C(CC(C)(C)C(C)CC)C(C)C.CC
InChIInChI=1S/C18H32.C2H6/c1-9-11-12-15(5)17(14(3)4)13-18(7,8)16(6)10-2;1-2/h9,11-12,14,16-17H,1,5,10,13H2,2-4,6-8H3;1-2H3/b12-11-;
InChIKeyHNYPZXCIMHVWTI-AFEZEDKISA-N
MW278.52 g/mol
LogP7.05
Rot. Bonds8

About ethane;(3Z)-8,8,9-trimethyl-5-methylidene-6-propan-2-ylundeca-1,3-diene

ethane;(3Z)-8,8,9-trimethyl-5-methylidene-6-propan-2-ylundeca-1,3-diene (PubChem CID 178166429) has the molecular formula C20H38 and a molecular weight of 278.52 g/mol. Its IUPAC name is ethane;(3Z)-8,8,9-trimethyl-5-methylidene-6-propan-2-ylundeca-1,3-diene.

Molecular Properties

Compound Nameethane;(3Z)-8,8,9-trimethyl-5-methylidene-6-propan-2-ylundeca-1,3-diene
PubChem CID178166429
Molecular FormulaC20H38
Molecular Weight278.52 g/mol
Exact Mass278.30
IUPAC Nameethane;(3Z)-8,8,9-trimethyl-5-methylidene-6-propan-2-ylundeca-1,3-diene
SMILESC=C/C=C\C(=C)C(CC(C)(C)C(C)CC)C(C)C.CC
InChIInChI=1S/C18H32.C2H6/c1-9-11-12-15(5)17(14(3)4)13-18(7,8)16(6)10-2;1-2/h9,11-12,14,16-17H,1,5,10,13H2,2-4,6-8H3;1-2H3/b12-11-;
InChIKeyHNYPZXCIMHVWTI-AFEZEDKISA-N
XLogP7.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.52
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;(3Z)-6-methyl-5-methylideneocta-1,3-diene;hydroiodide
CID 143199544
(5Z)-4-methylideneocta-5,7-dien-3-ol
CID 143759474
6-bromo-5-methylidenehepta-1,3-diene
CID 123730228
ethane;methane;(3Z,5Z)-5-propan-2-ylhepta-1,3,5-triene
CID 144723819
4,4,5-trimethylheptan-2-amine
CID 79446390
6,6-dimethyl-5-methylidenehepta-1,3-diene
CID 72571250
ethane;(3Z,5Z)-5-ethylhepta-1,3,5-triene
CID 145142585
2-methyl-3-methylidenehepta-4,6-dienoic acid
CID 123881666
tris(prop-2-enoic acid);2,2,3-trimethylpentane
CID 175962971
4,4-dimethylpent-1-ene;3,3,4-trimethylhexane
CID 153402313
(3Z,5E,7E,8Z)-5,7-di(ethylidene)-6-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-methyldeca-1,3,8-triene;ethane
CID 143385248
(3Z,5E)-5-(2,3-dimethylbutan-2-yl)octa-1,3,5-triene
CID 145089593

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z)-8,8,9-trimethyl-5-methylidene-6-propan-2-ylundeca-1,3-diene?
The IUPAC name of ethane;(3Z)-8,8,9-trimethyl-5-methylidene-6-propan-2-ylundeca-1,3-diene (CID 178166429) is ethane;(3Z)-8,8,9-trimethyl-5-methylidene-6-propan-2-ylundeca-1,3-diene.
What is the SMILES notation for ethane;(3Z)-8,8,9-trimethyl-5-methylidene-6-propan-2-ylundeca-1,3-diene?
The canonical SMILES for ethane;(3Z)-8,8,9-trimethyl-5-methylidene-6-propan-2-ylundeca-1,3-diene is C=C/C=C\C(=C)C(CC(C)(C)C(C)CC)C(C)C.CC.
What is the InChIKey of ethane;(3Z)-8,8,9-trimethyl-5-methylidene-6-propan-2-ylundeca-1,3-diene?
The InChIKey is HNYPZXCIMHVWTI-AFEZEDKISA-N. The full InChI is InChI=1S/C18H32.C2H6/c1-9-11-12-15(5)17(14(3)4)13-18(7,8)16(6)10-2;1-2/h9,11-12,14,16-17H,1,5,10,13H2,2-4,6-8H3;1-2H3/b12-11-;.
What are the key properties of ethane;(3Z)-8,8,9-trimethyl-5-methylidene-6-propan-2-ylundeca-1,3-diene?
ethane;(3Z)-8,8,9-trimethyl-5-methylidene-6-propan-2-ylundeca-1,3-diene has a molecular weight of 278.52 g/mol, XLogP of 7.05, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-8,8,9-trimethyl-5-methylidene-6-propan-2-ylundeca-1,3-diene is sourced from PubChem (CID 178166429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).