trans-(1S,3S)-3-propan-2-ylcyclohexan-1-ol

C9H18O — CID 6431597

IUPACtrans-(1S,3S)-3-propan-2-ylcyclohexan-1-ol
SMILESCC(C)[C@H]1CCC[C@H](O)C1
InChIInChI=1S/C9H18O/c1-7(2)8-4-3-5-9(10)6-8/h7-10H,3-6H2,1-2H3/t8-,9-/m0/s1
InChIKeyWMLDVNFSAVPBBH-IUCAKERBSA-N
MW142.24 g/mol
LogP2.19
Rot. Bonds1

About trans-(1S,3S)-3-propan-2-ylcyclohexan-1-ol

trans-(1S,3S)-3-propan-2-ylcyclohexan-1-ol (PubChem CID 6431597) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is trans-(1S,3S)-3-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,3S)-3-propan-2-ylcyclohexan-1-ol
PubChem CID6431597
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Nametrans-(1S,3S)-3-propan-2-ylcyclohexan-1-ol
SMILESCC(C)[C@H]1CCC[C@H](O)C1
InChIInChI=1S/C9H18O/c1-7(2)8-4-3-5-9(10)6-8/h7-10H,3-6H2,1-2H3/t8-,9-/m0/s1
InChIKeyWMLDVNFSAVPBBH-IUCAKERBSA-N
XLogP2.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-propan-2-ylcyclohexan-1-ol?
The IUPAC name of trans-(1S,3S)-3-propan-2-ylcyclohexan-1-ol (CID 6431597) is trans-(1S,3S)-3-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for trans-(1S,3S)-3-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for trans-(1S,3S)-3-propan-2-ylcyclohexan-1-ol is CC(C)[C@H]1CCC[C@H](O)C1.
What is the InChIKey of trans-(1S,3S)-3-propan-2-ylcyclohexan-1-ol?
The InChIKey is WMLDVNFSAVPBBH-IUCAKERBSA-N. The full InChI is InChI=1S/C9H18O/c1-7(2)8-4-3-5-9(10)6-8/h7-10H,3-6H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of trans-(1S,3S)-3-propan-2-ylcyclohexan-1-ol?
trans-(1S,3S)-3-propan-2-ylcyclohexan-1-ol has a molecular weight of 142.24 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 6431597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).