6-butyl-4,5-dimethyl-3-methylidenecyclohexa-1,5-dien-1-ol

C13H20O — CID 170851092

IUPAC6-butyl-4,5-dimethyl-3-methylidenecyclohexa-1,5-dien-1-ol
SMILESC=C1C=C(O)C(CCCC)=C(C)C1C
InChIInChI=1S/C13H20O/c1-5-6-7-12-11(4)10(3)9(2)8-13(12)14/h8,10,14H,2,5-7H2,1,3-4H3
InChIKeyPABLJVSUUSNFBI-UHFFFAOYSA-N
MW192.30 g/mol
LogP4.14
Rot. Bonds3

About 6-butyl-4,5-dimethyl-3-methylidenecyclohexa-1,5-dien-1-ol

6-butyl-4,5-dimethyl-3-methylidenecyclohexa-1,5-dien-1-ol (PubChem CID 170851092) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 6-butyl-4,5-dimethyl-3-methylidenecyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name6-butyl-4,5-dimethyl-3-methylidenecyclohexa-1,5-dien-1-ol
PubChem CID170851092
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name6-butyl-4,5-dimethyl-3-methylidenecyclohexa-1,5-dien-1-ol
SMILESC=C1C=C(O)C(CCCC)=C(C)C1C
InChIInChI=1S/C13H20O/c1-5-6-7-12-11(4)10(3)9(2)8-13(12)14/h8,10,14H,2,5-7H2,1,3-4H3
InChIKeyPABLJVSUUSNFBI-UHFFFAOYSA-N
XLogP4.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-butyl-4,5-dimethyl-3-methylidenecyclohexa-1,5-dien-1-ol?
The IUPAC name of 6-butyl-4,5-dimethyl-3-methylidenecyclohexa-1,5-dien-1-ol (CID 170851092) is 6-butyl-4,5-dimethyl-3-methylidenecyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 6-butyl-4,5-dimethyl-3-methylidenecyclohexa-1,5-dien-1-ol?
The canonical SMILES for 6-butyl-4,5-dimethyl-3-methylidenecyclohexa-1,5-dien-1-ol is C=C1C=C(O)C(CCCC)=C(C)C1C.
What is the InChIKey of 6-butyl-4,5-dimethyl-3-methylidenecyclohexa-1,5-dien-1-ol?
The InChIKey is PABLJVSUUSNFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-5-6-7-12-11(4)10(3)9(2)8-13(12)14/h8,10,14H,2,5-7H2,1,3-4H3.
What are the key properties of 6-butyl-4,5-dimethyl-3-methylidenecyclohexa-1,5-dien-1-ol?
6-butyl-4,5-dimethyl-3-methylidenecyclohexa-1,5-dien-1-ol has a molecular weight of 192.30 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-4,5-dimethyl-3-methylidenecyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 170851092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).