3-methyl-2-(3-methylhexa-1,5-dien-2-yloxy)hexa-1,5-diene

C14H22O — CID 23092200

IUPAC3-methyl-2-(3-methylhexa-1,5-dien-2-yloxy)hexa-1,5-diene
SMILESC=CCC(C)C(=C)OC(=C)C(C)CC=C
InChIInChI=1S/C14H22O/c1-7-9-11(3)13(5)15-14(6)12(4)10-8-2/h7-8,11-12H,1-2,5-6,9-10H2,3-4H3
InChIKeyGXGVMDOSZKWEQK-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.45
Rot. Bonds8

About 3-methyl-2-(3-methylhexa-1,5-dien-2-yloxy)hexa-1,5-diene

3-methyl-2-(3-methylhexa-1,5-dien-2-yloxy)hexa-1,5-diene (PubChem CID 23092200) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 3-methyl-2-(3-methylhexa-1,5-dien-2-yloxy)hexa-1,5-diene.

Molecular Properties

Compound Name3-methyl-2-(3-methylhexa-1,5-dien-2-yloxy)hexa-1,5-diene
PubChem CID23092200
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name3-methyl-2-(3-methylhexa-1,5-dien-2-yloxy)hexa-1,5-diene
SMILESC=CCC(C)C(=C)OC(=C)C(C)CC=C
InChIInChI=1S/C14H22O/c1-7-9-11(3)13(5)15-14(6)12(4)10-8-2/h7-8,11-12H,1-2,5-6,9-10H2,3-4H3
InChIKeyGXGVMDOSZKWEQK-UHFFFAOYSA-N
XLogP4.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-methyl-2-(3-methylhexa-1,5-dien-2-yloxy)hexa-1,5-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[amino(methyl)phosphanyl]-3-methylhexa-1,5-diene
CID 166848470
azane;pent-4-en-2-ol
CID 22149561
prop-2-enyl 2-methylpent-4-enoate
CID 59817388
N,3-dimethyl-N-propan-2-ylhexa-1,5-dien-2-amine
CID 123847432
5-chloro-2-(5-chloro-3-methylpent-1-en-2-yl)oxy-3-methylpent-1-ene
CID 21321784
methyl 4-methyl-3-oxohept-6-enoate
CID 14289171
2,2,4-trimethylhept-6-en-3-one
CID 130027108
4-amino-2-methylhepta-1,6-dien-3-one
CID 116606914
2-methyl-N,N-di(propan-2-yl)pent-4-enamide
CID 13197575
(2S)-2-aminopent-4-enoic acid;ethane;(3S)-3-methylhex-5-en-2-one
CID 161452637
(4R)-5-methylidenehept-1-en-4-ol
CID 130622308
(3R,4S)-2,3,4-trimethylhepta-1,6-diene
CID 144847395

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3-methylhexa-1,5-dien-2-yloxy)hexa-1,5-diene?
The IUPAC name of 3-methyl-2-(3-methylhexa-1,5-dien-2-yloxy)hexa-1,5-diene (CID 23092200) is 3-methyl-2-(3-methylhexa-1,5-dien-2-yloxy)hexa-1,5-diene.
What is the SMILES notation for 3-methyl-2-(3-methylhexa-1,5-dien-2-yloxy)hexa-1,5-diene?
The canonical SMILES for 3-methyl-2-(3-methylhexa-1,5-dien-2-yloxy)hexa-1,5-diene is C=CCC(C)C(=C)OC(=C)C(C)CC=C.
What is the InChIKey of 3-methyl-2-(3-methylhexa-1,5-dien-2-yloxy)hexa-1,5-diene?
The InChIKey is GXGVMDOSZKWEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-7-9-11(3)13(5)15-14(6)12(4)10-8-2/h7-8,11-12H,1-2,5-6,9-10H2,3-4H3.
What are the key properties of 3-methyl-2-(3-methylhexa-1,5-dien-2-yloxy)hexa-1,5-diene?
3-methyl-2-(3-methylhexa-1,5-dien-2-yloxy)hexa-1,5-diene has a molecular weight of 206.33 g/mol, XLogP of 4.45, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(3-methylhexa-1,5-dien-2-yloxy)hexa-1,5-diene is sourced from PubChem (CID 23092200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).