(3Z)-2-propan-2-ylidenehexa-3,5-dien-1-ol

C9H14O — CID 89321968

IUPAC(3Z)-2-propan-2-ylidenehexa-3,5-dien-1-ol
SMILESC=C/C=C\C(CO)=C(C)C
InChIInChI=1S/C9H14O/c1-4-5-6-9(7-10)8(2)3/h4-6,10H,1,7H2,2-3H3/b6-5-
InChIKeyRAJWVOZSFMYTSX-WAYWQWQTSA-N
MW138.21 g/mol
LogP2.06
Rot. Bonds3

About (3Z)-2-propan-2-ylidenehexa-3,5-dien-1-ol

(3Z)-2-propan-2-ylidenehexa-3,5-dien-1-ol (PubChem CID 89321968) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is (3Z)-2-propan-2-ylidenehexa-3,5-dien-1-ol.

Molecular Properties

Compound Name(3Z)-2-propan-2-ylidenehexa-3,5-dien-1-ol
PubChem CID89321968
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name(3Z)-2-propan-2-ylidenehexa-3,5-dien-1-ol
SMILESC=C/C=C\C(CO)=C(C)C
InChIInChI=1S/C9H14O/c1-4-5-6-9(7-10)8(2)3/h4-6,10H,1,7H2,2-3H3/b6-5-
InChIKeyRAJWVOZSFMYTSX-WAYWQWQTSA-N
XLogP2.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-2-propan-2-ylidenehexa-3,5-dien-1-ol?
The IUPAC name of (3Z)-2-propan-2-ylidenehexa-3,5-dien-1-ol (CID 89321968) is (3Z)-2-propan-2-ylidenehexa-3,5-dien-1-ol.
What is the SMILES notation for (3Z)-2-propan-2-ylidenehexa-3,5-dien-1-ol?
The canonical SMILES for (3Z)-2-propan-2-ylidenehexa-3,5-dien-1-ol is C=C/C=C\C(CO)=C(C)C.
What is the InChIKey of (3Z)-2-propan-2-ylidenehexa-3,5-dien-1-ol?
The InChIKey is RAJWVOZSFMYTSX-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H14O/c1-4-5-6-9(7-10)8(2)3/h4-6,10H,1,7H2,2-3H3/b6-5-.
What are the key properties of (3Z)-2-propan-2-ylidenehexa-3,5-dien-1-ol?
(3Z)-2-propan-2-ylidenehexa-3,5-dien-1-ol has a molecular weight of 138.21 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-propan-2-ylidenehexa-3,5-dien-1-ol is sourced from PubChem (CID 89321968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).