4-(2-methylpropyl)cyclohexa-1,3-dien-1-ol

C10H16O — CID 19350672

IUPAC4-(2-methylpropyl)cyclohexa-1,3-dien-1-ol
SMILESCC(C)CC1=CC=C(O)CC1
InChIInChI=1S/C10H16O/c1-8(2)7-9-3-5-10(11)6-4-9/h3,5,8,11H,4,6-7H2,1-2H3
InChIKeyYVDYVNSKDTYSMH-UHFFFAOYSA-N
MW152.24 g/mol
LogP3.19
Rot. Bonds2

About 4-(2-methylpropyl)cyclohexa-1,3-dien-1-ol

4-(2-methylpropyl)cyclohexa-1,3-dien-1-ol (PubChem CID 19350672) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 4-(2-methylpropyl)cyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name4-(2-methylpropyl)cyclohexa-1,3-dien-1-ol
PubChem CID19350672
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name4-(2-methylpropyl)cyclohexa-1,3-dien-1-ol
SMILESCC(C)CC1=CC=C(O)CC1
InChIInChI=1S/C10H16O/c1-8(2)7-9-3-5-10(11)6-4-9/h3,5,8,11H,4,6-7H2,1-2H3
InChIKeyYVDYVNSKDTYSMH-UHFFFAOYSA-N
XLogP3.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)cyclohexa-1,3-dien-1-ol?
The IUPAC name of 4-(2-methylpropyl)cyclohexa-1,3-dien-1-ol (CID 19350672) is 4-(2-methylpropyl)cyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 4-(2-methylpropyl)cyclohexa-1,3-dien-1-ol?
The canonical SMILES for 4-(2-methylpropyl)cyclohexa-1,3-dien-1-ol is CC(C)CC1=CC=C(O)CC1.
What is the InChIKey of 4-(2-methylpropyl)cyclohexa-1,3-dien-1-ol?
The InChIKey is YVDYVNSKDTYSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-8(2)7-9-3-5-10(11)6-4-9/h3,5,8,11H,4,6-7H2,1-2H3.
What are the key properties of 4-(2-methylpropyl)cyclohexa-1,3-dien-1-ol?
4-(2-methylpropyl)cyclohexa-1,3-dien-1-ol has a molecular weight of 152.24 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)cyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 19350672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).