1-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-2,3-dimethylbutane-2,3-diol

C14H24O2 — CID 141084832

IUPAC1-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-2,3-dimethylbutane-2,3-diol
SMILESCC1(C)C=CC=CC1CC(C)(O)C(C)(C)O
InChIInChI=1S/C14H24O2/c1-12(2)9-7-6-8-11(12)10-14(5,16)13(3,4)15/h6-9,11,15-16H,10H2,1-5H3
InChIKeyXBDRMUHKXVYZAQ-UHFFFAOYSA-N
MW224.34 g/mol
LogP2.67
Rot. Bonds3

About 1-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-2,3-dimethylbutane-2,3-diol

1-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-2,3-dimethylbutane-2,3-diol (PubChem CID 141084832) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 1-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-2,3-dimethylbutane-2,3-diol.

Molecular Properties

Compound Name1-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-2,3-dimethylbutane-2,3-diol
PubChem CID141084832
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name1-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-2,3-dimethylbutane-2,3-diol
SMILESCC1(C)C=CC=CC1CC(C)(O)C(C)(C)O
InChIInChI=1S/C14H24O2/c1-12(2)9-7-6-8-11(12)10-14(5,16)13(3,4)15/h6-9,11,15-16H,10H2,1-5H3
InChIKeyXBDRMUHKXVYZAQ-UHFFFAOYSA-N
XLogP2.67
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-2,3-dimethylbutane-2,3-diol?
The IUPAC name of 1-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-2,3-dimethylbutane-2,3-diol (CID 141084832) is 1-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-2,3-dimethylbutane-2,3-diol.
What is the SMILES notation for 1-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-2,3-dimethylbutane-2,3-diol?
The canonical SMILES for 1-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-2,3-dimethylbutane-2,3-diol is CC1(C)C=CC=CC1CC(C)(O)C(C)(C)O.
What is the InChIKey of 1-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-2,3-dimethylbutane-2,3-diol?
The InChIKey is XBDRMUHKXVYZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-12(2)9-7-6-8-11(12)10-14(5,16)13(3,4)15/h6-9,11,15-16H,10H2,1-5H3.
What are the key properties of 1-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-2,3-dimethylbutane-2,3-diol?
1-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-2,3-dimethylbutane-2,3-diol has a molecular weight of 224.34 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-2,3-dimethylbutane-2,3-diol is sourced from PubChem (CID 141084832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).