(2E,3E)-2-ethylidene-6-methylhepta-3,5-dien-1-ol

C10H16O — CID 91753736

IUPAC(2E,3E)-2-ethylidene-6-methylhepta-3,5-dien-1-ol
SMILESC/C=C(\C=C\C=C(C)C)CO
InChIInChI=1S/C10H16O/c1-4-10(8-11)7-5-6-9(2)3/h4-7,11H,8H2,1-3H3/b7-5+,10-4+
InChIKeyFSTMFKMUZPMDAZ-DLWSCZCPSA-N
MW152.24 g/mol
LogP2.45
Rot. Bonds3

About (2E,3E)-2-ethylidene-6-methylhepta-3,5-dien-1-ol

(2E,3E)-2-ethylidene-6-methylhepta-3,5-dien-1-ol (PubChem CID 91753736) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (2E,3E)-2-ethylidene-6-methylhepta-3,5-dien-1-ol.

Molecular Properties

Compound Name(2E,3E)-2-ethylidene-6-methylhepta-3,5-dien-1-ol
PubChem CID91753736
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(2E,3E)-2-ethylidene-6-methylhepta-3,5-dien-1-ol
SMILESC/C=C(\C=C\C=C(C)C)CO
InChIInChI=1S/C10H16O/c1-4-10(8-11)7-5-6-9(2)3/h4-7,11H,8H2,1-3H3/b7-5+,10-4+
InChIKeyFSTMFKMUZPMDAZ-DLWSCZCPSA-N
XLogP2.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z,2E)-2-ethylidenepent-3-en-1-ol;methanol
CID 144920748
(4E)-2,7-dimethylocta-2,4,6-triene
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(3Z)-2,6-dimethylhepta-1,3,5-triene
CID 96562826
methane;(4Z)-2-methyl-6-methylideneocta-2,4-diene
CID 145083529
(3Z)-2-bromo-6-methylhepta-1,3,5-triene
CID 118586502
2-methyltetradeca-2,4,6,8,10,12-hexaene
CID 72567686
2-(hydroxymethyl)but-2-enal
CID 54024247
2-methyldeca-2,4,6,8-tetraene
CID 123313204
(4E,8E)-2-methyldeca-2,4,8-triene
CID 173142496
(4Z,7Z)-2-methylnona-2,4,7-triene
CID 144748240
ethene;(E)-2-ethenylbut-2-en-1-ol
CID 142149332
methyl (2Z)-5-methylhexa-2,4-dienoate
CID 23246793

Frequently Asked Questions

What is the IUPAC name of (2E,3E)-2-ethylidene-6-methylhepta-3,5-dien-1-ol?
The IUPAC name of (2E,3E)-2-ethylidene-6-methylhepta-3,5-dien-1-ol (CID 91753736) is (2E,3E)-2-ethylidene-6-methylhepta-3,5-dien-1-ol.
What is the SMILES notation for (2E,3E)-2-ethylidene-6-methylhepta-3,5-dien-1-ol?
The canonical SMILES for (2E,3E)-2-ethylidene-6-methylhepta-3,5-dien-1-ol is C/C=C(\C=C\C=C(C)C)CO.
What is the InChIKey of (2E,3E)-2-ethylidene-6-methylhepta-3,5-dien-1-ol?
The InChIKey is FSTMFKMUZPMDAZ-DLWSCZCPSA-N. The full InChI is InChI=1S/C10H16O/c1-4-10(8-11)7-5-6-9(2)3/h4-7,11H,8H2,1-3H3/b7-5+,10-4+.
What are the key properties of (2E,3E)-2-ethylidene-6-methylhepta-3,5-dien-1-ol?
(2E,3E)-2-ethylidene-6-methylhepta-3,5-dien-1-ol has a molecular weight of 152.24 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E)-2-ethylidene-6-methylhepta-3,5-dien-1-ol is sourced from PubChem (CID 91753736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).