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

C14H24O — CID 67095724

IUPAC1,4-bis(2-methylpropyl)cyclohexa-2,4-dien-1-ol
SMILESCC(C)CC1=CCC(O)(CC(C)C)C=C1
InChIInChI=1S/C14H24O/c1-11(2)9-13-5-7-14(15,8-6-13)10-12(3)4/h5-7,11-12,15H,8-10H2,1-4H3
InChIKeyMQCUIYULLYRTPE-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.70
Rot. Bonds4

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

1,4-bis(2-methylpropyl)cyclohexa-2,4-dien-1-ol (PubChem CID 67095724) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 1,4-bis(2-methylpropyl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1,4-bis(2-methylpropyl)cyclohexa-2,4-dien-1-ol
PubChem CID67095724
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name1,4-bis(2-methylpropyl)cyclohexa-2,4-dien-1-ol
SMILESCC(C)CC1=CCC(O)(CC(C)C)C=C1
InChIInChI=1S/C14H24O/c1-11(2)9-13-5-7-14(15,8-6-13)10-12(3)4/h5-7,11-12,15H,8-10H2,1-4H3
InChIKeyMQCUIYULLYRTPE-UHFFFAOYSA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(2-methylpropyl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 1,4-bis(2-methylpropyl)cyclohexa-2,4-dien-1-ol (CID 67095724) is 1,4-bis(2-methylpropyl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1,4-bis(2-methylpropyl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1,4-bis(2-methylpropyl)cyclohexa-2,4-dien-1-ol is CC(C)CC1=CCC(O)(CC(C)C)C=C1.
What is the InChIKey of 1,4-bis(2-methylpropyl)cyclohexa-2,4-dien-1-ol?
The InChIKey is MQCUIYULLYRTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-11(2)9-13-5-7-14(15,8-6-13)10-12(3)4/h5-7,11-12,15H,8-10H2,1-4H3.
What are the key properties of 1,4-bis(2-methylpropyl)cyclohexa-2,4-dien-1-ol?
1,4-bis(2-methylpropyl)cyclohexa-2,4-dien-1-ol has a molecular weight of 208.34 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(2-methylpropyl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 67095724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).