(2E,3Z)-2-ethylidenehepta-3,6-dien-1-ol

C9H14O — CID 89197213

IUPAC(2E,3Z)-2-ethylidenehepta-3,6-dien-1-ol
SMILESC=CC/C=C\C(=C/C)CO
InChIInChI=1S/C9H14O/c1-3-5-6-7-9(4-2)8-10/h3-4,6-7,10H,1,5,8H2,2H3/b7-6-,9-4+
InChIKeySWEYODNDUKHFMX-WSISTYIOSA-N
MW138.21 g/mol
LogP2.06
Rot. Bonds4

About (2E,3Z)-2-ethylidenehepta-3,6-dien-1-ol

(2E,3Z)-2-ethylidenehepta-3,6-dien-1-ol (PubChem CID 89197213) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is (2E,3Z)-2-ethylidenehepta-3,6-dien-1-ol.

Molecular Properties

Compound Name(2E,3Z)-2-ethylidenehepta-3,6-dien-1-ol
PubChem CID89197213
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name(2E,3Z)-2-ethylidenehepta-3,6-dien-1-ol
SMILESC=CC/C=C\C(=C/C)CO
InChIInChI=1S/C9H14O/c1-3-5-6-7-9(4-2)8-10/h3-4,6-7,10H,1,5,8H2,2H3/b7-6-,9-4+
InChIKeySWEYODNDUKHFMX-WSISTYIOSA-N
XLogP2.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-2-ethylidenehepta-3,6-dien-1-ol?
The IUPAC name of (2E,3Z)-2-ethylidenehepta-3,6-dien-1-ol (CID 89197213) is (2E,3Z)-2-ethylidenehepta-3,6-dien-1-ol.
What is the SMILES notation for (2E,3Z)-2-ethylidenehepta-3,6-dien-1-ol?
The canonical SMILES for (2E,3Z)-2-ethylidenehepta-3,6-dien-1-ol is C=CC/C=C\C(=C/C)CO.
What is the InChIKey of (2E,3Z)-2-ethylidenehepta-3,6-dien-1-ol?
The InChIKey is SWEYODNDUKHFMX-WSISTYIOSA-N. The full InChI is InChI=1S/C9H14O/c1-3-5-6-7-9(4-2)8-10/h3-4,6-7,10H,1,5,8H2,2H3/b7-6-,9-4+.
What are the key properties of (2E,3Z)-2-ethylidenehepta-3,6-dien-1-ol?
(2E,3Z)-2-ethylidenehepta-3,6-dien-1-ol has a molecular weight of 138.21 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-2-ethylidenehepta-3,6-dien-1-ol is sourced from PubChem (CID 89197213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).