2-butyl-4-butylidene-3-methylcyclohexa-1,5-dien-1-ol

C15H24O — CID 67251526

IUPAC2-butyl-4-butylidene-3-methylcyclohexa-1,5-dien-1-ol
SMILESCCCC=C1C=CC(O)=C(CCCC)C1C
InChIInChI=1S/C15H24O/c1-4-6-8-13-10-11-15(16)14(12(13)3)9-7-5-2/h8,10-12,16H,4-7,9H2,1-3H3
InChIKeyYWCFCZYZFRVVEL-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.92
Rot. Bonds5

About 2-butyl-4-butylidene-3-methylcyclohexa-1,5-dien-1-ol

2-butyl-4-butylidene-3-methylcyclohexa-1,5-dien-1-ol (PubChem CID 67251526) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-butyl-4-butylidene-3-methylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name2-butyl-4-butylidene-3-methylcyclohexa-1,5-dien-1-ol
PubChem CID67251526
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name2-butyl-4-butylidene-3-methylcyclohexa-1,5-dien-1-ol
SMILESCCCC=C1C=CC(O)=C(CCCC)C1C
InChIInChI=1S/C15H24O/c1-4-6-8-13-10-11-15(16)14(12(13)3)9-7-5-2/h8,10-12,16H,4-7,9H2,1-3H3
InChIKeyYWCFCZYZFRVVEL-UHFFFAOYSA-N
XLogP4.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-butylidene-3-methylcyclohexa-1,5-dien-1-ol?
The IUPAC name of 2-butyl-4-butylidene-3-methylcyclohexa-1,5-dien-1-ol (CID 67251526) is 2-butyl-4-butylidene-3-methylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 2-butyl-4-butylidene-3-methylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for 2-butyl-4-butylidene-3-methylcyclohexa-1,5-dien-1-ol is CCCC=C1C=CC(O)=C(CCCC)C1C.
What is the InChIKey of 2-butyl-4-butylidene-3-methylcyclohexa-1,5-dien-1-ol?
The InChIKey is YWCFCZYZFRVVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-4-6-8-13-10-11-15(16)14(12(13)3)9-7-5-2/h8,10-12,16H,4-7,9H2,1-3H3.
What are the key properties of 2-butyl-4-butylidene-3-methylcyclohexa-1,5-dien-1-ol?
2-butyl-4-butylidene-3-methylcyclohexa-1,5-dien-1-ol has a molecular weight of 220.36 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-butylidene-3-methylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 67251526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).