cis-(1S,3S)-1,3-dimethylcyclohexan-1-ol

C8H16O — CID 59649278

IUPACcis-(1S,3S)-1,3-dimethylcyclohexan-1-ol
SMILESC[C@H]1CCC[C@](C)(O)C1
InChIInChI=1S/C8H16O/c1-7-4-3-5-8(2,9)6-7/h7,9H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyDWUSBTCQAFWLIW-YUMQZZPRSA-N
MW128.22 g/mol
LogP1.95
Rot. Bonds

About cis-(1S,3S)-1,3-dimethylcyclohexan-1-ol

cis-(1S,3S)-1,3-dimethylcyclohexan-1-ol (PubChem CID 59649278) has the molecular formula C8H16O and a molecular weight of 128.22 g/mol. Its IUPAC name is cis-(1S,3S)-1,3-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,3S)-1,3-dimethylcyclohexan-1-ol
PubChem CID59649278
Molecular FormulaC8H16O
Molecular Weight128.22 g/mol
Exact Mass128.12
IUPAC Namecis-(1S,3S)-1,3-dimethylcyclohexan-1-ol
SMILESC[C@H]1CCC[C@](C)(O)C1
InChIInChI=1S/C8H16O/c1-7-4-3-5-8(2,9)6-7/h7,9H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyDWUSBTCQAFWLIW-YUMQZZPRSA-N
XLogP1.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3S)-1,3-dimethylcyclohexan-1-ol?
The IUPAC name of cis-(1S,3S)-1,3-dimethylcyclohexan-1-ol (CID 59649278) is cis-(1S,3S)-1,3-dimethylcyclohexan-1-ol.
What is the SMILES notation for cis-(1S,3S)-1,3-dimethylcyclohexan-1-ol?
The canonical SMILES for cis-(1S,3S)-1,3-dimethylcyclohexan-1-ol is C[C@H]1CCC[C@](C)(O)C1.
What is the InChIKey of cis-(1S,3S)-1,3-dimethylcyclohexan-1-ol?
The InChIKey is DWUSBTCQAFWLIW-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H16O/c1-7-4-3-5-8(2,9)6-7/h7,9H,3-6H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of cis-(1S,3S)-1,3-dimethylcyclohexan-1-ol?
cis-(1S,3S)-1,3-dimethylcyclohexan-1-ol has a molecular weight of 128.22 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3S)-1,3-dimethylcyclohexan-1-ol is sourced from PubChem (CID 59649278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).