6-butyl-4-butylidene-5-methylcyclohexa-1,5-dien-1-ol

C15H24O — CID 67251524

IUPAC6-butyl-4-butylidene-5-methylcyclohexa-1,5-dien-1-ol
SMILESCCCC=C1CC=C(O)C(CCCC)=C1C
InChIInChI=1S/C15H24O/c1-4-6-8-13-10-11-15(16)14(12(13)3)9-7-5-2/h8,11,16H,4-7,9-10H2,1-3H3
InChIKeyCEBFUZBYQUYABB-UHFFFAOYSA-N
MW220.36 g/mol
LogP5.07
Rot. Bonds5

About 6-butyl-4-butylidene-5-methylcyclohexa-1,5-dien-1-ol

6-butyl-4-butylidene-5-methylcyclohexa-1,5-dien-1-ol (PubChem CID 67251524) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 6-butyl-4-butylidene-5-methylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name6-butyl-4-butylidene-5-methylcyclohexa-1,5-dien-1-ol
PubChem CID67251524
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name6-butyl-4-butylidene-5-methylcyclohexa-1,5-dien-1-ol
SMILESCCCC=C1CC=C(O)C(CCCC)=C1C
InChIInChI=1S/C15H24O/c1-4-6-8-13-10-11-15(16)14(12(13)3)9-7-5-2/h8,11,16H,4-7,9-10H2,1-3H3
InChIKeyCEBFUZBYQUYABB-UHFFFAOYSA-N
XLogP5.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.36
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-butyl-4-butylidene-5-methylcyclohexa-1,5-dien-1-ol?
The IUPAC name of 6-butyl-4-butylidene-5-methylcyclohexa-1,5-dien-1-ol (CID 67251524) is 6-butyl-4-butylidene-5-methylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 6-butyl-4-butylidene-5-methylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for 6-butyl-4-butylidene-5-methylcyclohexa-1,5-dien-1-ol is CCCC=C1CC=C(O)C(CCCC)=C1C.
What is the InChIKey of 6-butyl-4-butylidene-5-methylcyclohexa-1,5-dien-1-ol?
The InChIKey is CEBFUZBYQUYABB-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/h8,11,16H,4-7,9-10H2,1-3H3.
What are the key properties of 6-butyl-4-butylidene-5-methylcyclohexa-1,5-dien-1-ol?
6-butyl-4-butylidene-5-methylcyclohexa-1,5-dien-1-ol has a molecular weight of 220.36 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-4-butylidene-5-methylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 67251524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).