1-(3,3-dimethylbutyl)-2,3-dimethylcyclohexan-1-ol

C14H28O — CID 65154010

IUPAC1-(3,3-dimethylbutyl)-2,3-dimethylcyclohexan-1-ol
SMILESCC1CCCC(O)(CCC(C)(C)C)C1C
InChIInChI=1S/C14H28O/c1-11-7-6-8-14(15,12(11)2)10-9-13(3,4)5/h11-12,15H,6-10H2,1-5H3
InChIKeyGRYTVNUPNADYDM-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.00
Rot. Bonds2

About 1-(3,3-dimethylbutyl)-2,3-dimethylcyclohexan-1-ol

1-(3,3-dimethylbutyl)-2,3-dimethylcyclohexan-1-ol (PubChem CID 65154010) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)-2,3-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)-2,3-dimethylcyclohexan-1-ol
PubChem CID65154010
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name1-(3,3-dimethylbutyl)-2,3-dimethylcyclohexan-1-ol
SMILESCC1CCCC(O)(CCC(C)(C)C)C1C
InChIInChI=1S/C14H28O/c1-11-7-6-8-14(15,12(11)2)10-9-13(3,4)5/h11-12,15H,6-10H2,1-5H3
InChIKeyGRYTVNUPNADYDM-UHFFFAOYSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)-2,3-dimethylcyclohexan-1-ol?
The IUPAC name of 1-(3,3-dimethylbutyl)-2,3-dimethylcyclohexan-1-ol (CID 65154010) is 1-(3,3-dimethylbutyl)-2,3-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(3,3-dimethylbutyl)-2,3-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-(3,3-dimethylbutyl)-2,3-dimethylcyclohexan-1-ol is CC1CCCC(O)(CCC(C)(C)C)C1C.
What is the InChIKey of 1-(3,3-dimethylbutyl)-2,3-dimethylcyclohexan-1-ol?
The InChIKey is GRYTVNUPNADYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-11-7-6-8-14(15,12(11)2)10-9-13(3,4)5/h11-12,15H,6-10H2,1-5H3.
What are the key properties of 1-(3,3-dimethylbutyl)-2,3-dimethylcyclohexan-1-ol?
1-(3,3-dimethylbutyl)-2,3-dimethylcyclohexan-1-ol has a molecular weight of 212.38 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutyl)-2,3-dimethylcyclohexan-1-ol is sourced from PubChem (CID 65154010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).