2-dodecylcyclohexa-1,3-dien-1-ol

C18H32O — CID 22756019

IUPAC2-dodecylcyclohexa-1,3-dien-1-ol
SMILESCCCCCCCCCCCCC1=C(O)CCC=C1
InChIInChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)19/h12,15,19H,2-11,13-14,16H2,1H3
InChIKeyYGZCJKXOYISZNN-UHFFFAOYSA-N
MW264.45 g/mol
LogP6.46
Rot. Bonds11

About 2-dodecylcyclohexa-1,3-dien-1-ol

2-dodecylcyclohexa-1,3-dien-1-ol (PubChem CID 22756019) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is 2-dodecylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name2-dodecylcyclohexa-1,3-dien-1-ol
PubChem CID22756019
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Name2-dodecylcyclohexa-1,3-dien-1-ol
SMILESCCCCCCCCCCCCC1=C(O)CCC=C1
InChIInChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)19/h12,15,19H,2-11,13-14,16H2,1H3
InChIKeyYGZCJKXOYISZNN-UHFFFAOYSA-N
XLogP6.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.45
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-dodecylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 2-dodecylcyclohexa-1,3-dien-1-ol (CID 22756019) is 2-dodecylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 2-dodecylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 2-dodecylcyclohexa-1,3-dien-1-ol is CCCCCCCCCCCCC1=C(O)CCC=C1.
What is the InChIKey of 2-dodecylcyclohexa-1,3-dien-1-ol?
The InChIKey is YGZCJKXOYISZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)19/h12,15,19H,2-11,13-14,16H2,1H3.
What are the key properties of 2-dodecylcyclohexa-1,3-dien-1-ol?
2-dodecylcyclohexa-1,3-dien-1-ol has a molecular weight of 264.45 g/mol, XLogP of 6.46, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 22756019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).