4-[(2E)-5-methylhexa-2,4-dien-3-yl]cyclohexa-1,3-dien-1-ol

C13H18O — CID 143762691

IUPAC4-[(2E)-5-methylhexa-2,4-dien-3-yl]cyclohexa-1,3-dien-1-ol
SMILESC/C=C(\C=C(C)C)C1=CC=C(O)CC1
InChIInChI=1S/C13H18O/c1-4-11(9-10(2)3)12-5-7-13(14)8-6-12/h4-5,7,9,14H,6,8H2,1-3H3/b11-4+
InChIKeyPLZFVHVYTIVYIS-NYYWCZLTSA-N
MW190.29 g/mol
LogP4.06
Rot. Bonds2

About 4-[(2E)-5-methylhexa-2,4-dien-3-yl]cyclohexa-1,3-dien-1-ol

4-[(2E)-5-methylhexa-2,4-dien-3-yl]cyclohexa-1,3-dien-1-ol (PubChem CID 143762691) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 4-[(2E)-5-methylhexa-2,4-dien-3-yl]cyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name4-[(2E)-5-methylhexa-2,4-dien-3-yl]cyclohexa-1,3-dien-1-ol
PubChem CID143762691
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name4-[(2E)-5-methylhexa-2,4-dien-3-yl]cyclohexa-1,3-dien-1-ol
SMILESC/C=C(\C=C(C)C)C1=CC=C(O)CC1
InChIInChI=1S/C13H18O/c1-4-11(9-10(2)3)12-5-7-13(14)8-6-12/h4-5,7,9,14H,6,8H2,1-3H3/b11-4+
InChIKeyPLZFVHVYTIVYIS-NYYWCZLTSA-N
XLogP4.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 54.06
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 4-[(2E)-5-methylhexa-2,4-dien-3-yl]cyclohexa-1,3-dien-1-ol?
The IUPAC name of 4-[(2E)-5-methylhexa-2,4-dien-3-yl]cyclohexa-1,3-dien-1-ol (CID 143762691) is 4-[(2E)-5-methylhexa-2,4-dien-3-yl]cyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 4-[(2E)-5-methylhexa-2,4-dien-3-yl]cyclohexa-1,3-dien-1-ol?
The canonical SMILES for 4-[(2E)-5-methylhexa-2,4-dien-3-yl]cyclohexa-1,3-dien-1-ol is C/C=C(\C=C(C)C)C1=CC=C(O)CC1.
What is the InChIKey of 4-[(2E)-5-methylhexa-2,4-dien-3-yl]cyclohexa-1,3-dien-1-ol?
The InChIKey is PLZFVHVYTIVYIS-NYYWCZLTSA-N. The full InChI is InChI=1S/C13H18O/c1-4-11(9-10(2)3)12-5-7-13(14)8-6-12/h4-5,7,9,14H,6,8H2,1-3H3/b11-4+.
What are the key properties of 4-[(2E)-5-methylhexa-2,4-dien-3-yl]cyclohexa-1,3-dien-1-ol?
4-[(2E)-5-methylhexa-2,4-dien-3-yl]cyclohexa-1,3-dien-1-ol has a molecular weight of 190.29 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E)-5-methylhexa-2,4-dien-3-yl]cyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 143762691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).