(3E)-4-methoxy-2-methylidenehepta-3,6-dien-1-ol

C9H14O2 — CID 15417235

IUPAC(3E)-4-methoxy-2-methylidenehepta-3,6-dien-1-ol
SMILESC=CC/C(=C\C(=C)CO)OC
InChIInChI=1S/C9H14O2/c1-4-5-9(11-3)6-8(2)7-10/h4,6,10H,1-2,5,7H2,3H3/b9-6+
InChIKeyCQRIUQRTZGXVPO-RMKNXTFCSA-N
MW154.21 g/mol
LogP1.64
Rot. Bonds5

About (3E)-4-methoxy-2-methylidenehepta-3,6-dien-1-ol

(3E)-4-methoxy-2-methylidenehepta-3,6-dien-1-ol (PubChem CID 15417235) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (3E)-4-methoxy-2-methylidenehepta-3,6-dien-1-ol.

Molecular Properties

Compound Name(3E)-4-methoxy-2-methylidenehepta-3,6-dien-1-ol
PubChem CID15417235
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(3E)-4-methoxy-2-methylidenehepta-3,6-dien-1-ol
SMILESC=CC/C(=C\C(=C)CO)OC
InChIInChI=1S/C9H14O2/c1-4-5-9(11-3)6-8(2)7-10/h4,6,10H,1-2,5,7H2,3H3/b9-6+
InChIKeyCQRIUQRTZGXVPO-RMKNXTFCSA-N
XLogP1.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methoxypenta-1,4-diene
CID 12625760
(4Z)-4-(methoxymethoxy)hexa-1,4-diene
CID 100937483
(3E)-4-fluoro-2-methoxyhexa-1,3,5-triene
CID 143875376
(Z)-2-methoxyprop-1-ene-1,3-diol
CID 87473707
(1Z)-1-methoxy-N,N,2-trimethylpenta-1,4-dien-1-amine
CID 134987819
(5E)-5-methoxyhepta-1,5-diene
CID 88979708
N-methylpenta-1,4-dien-2-amine
CID 144973038
(5Z)-4-methylidenehepta-1,5-diene
CID 143920725
4-methylidenehepta-1,5-diene
CID 76553064
acetic acid;2-ethylidenepent-4-en-1-ol
CID 71397041
(E)-4-methoxy-N-methyl-2-methylidenepent-3-en-1-amine
CID 142133536
N,4-dimethyl-2-methylidenepent-3-en-1-amine
CID 146927478

Frequently Asked Questions

What is the IUPAC name of (3E)-4-methoxy-2-methylidenehepta-3,6-dien-1-ol?
The IUPAC name of (3E)-4-methoxy-2-methylidenehepta-3,6-dien-1-ol (CID 15417235) is (3E)-4-methoxy-2-methylidenehepta-3,6-dien-1-ol.
What is the SMILES notation for (3E)-4-methoxy-2-methylidenehepta-3,6-dien-1-ol?
The canonical SMILES for (3E)-4-methoxy-2-methylidenehepta-3,6-dien-1-ol is C=CC/C(=C\C(=C)CO)OC.
What is the InChIKey of (3E)-4-methoxy-2-methylidenehepta-3,6-dien-1-ol?
The InChIKey is CQRIUQRTZGXVPO-RMKNXTFCSA-N. The full InChI is InChI=1S/C9H14O2/c1-4-5-9(11-3)6-8(2)7-10/h4,6,10H,1-2,5,7H2,3H3/b9-6+.
What are the key properties of (3E)-4-methoxy-2-methylidenehepta-3,6-dien-1-ol?
(3E)-4-methoxy-2-methylidenehepta-3,6-dien-1-ol has a molecular weight of 154.21 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-methoxy-2-methylidenehepta-3,6-dien-1-ol is sourced from PubChem (CID 15417235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).