cis-(1S,2R)-1,2-dipropylcyclohexane

C12H24 — CID 143217114

IUPACcis-(1S,2R)-1,2-dipropylcyclohexane
SMILESCCC[C@@H]1CCCC[C@@H]1CCC
InChIInChI=1S/C12H24/c1-3-7-11-9-5-6-10-12(11)8-4-2/h11-12H,3-10H2,1-2H3/t11-,12+
InChIKeyABNVRGNXKSTEOK-TXEJJXNPSA-N
MW168.32 g/mol
LogP4.39
Rot. Bonds4

About cis-(1S,2R)-1,2-dipropylcyclohexane

cis-(1S,2R)-1,2-dipropylcyclohexane (PubChem CID 143217114) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is cis-(1S,2R)-1,2-dipropylcyclohexane.

Molecular Properties

Compound Namecis-(1S,2R)-1,2-dipropylcyclohexane
PubChem CID143217114
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Namecis-(1S,2R)-1,2-dipropylcyclohexane
SMILESCCC[C@@H]1CCCC[C@@H]1CCC
InChIInChI=1S/C12H24/c1-3-7-11-9-5-6-10-12(11)8-4-2/h11-12H,3-10H2,1-2H3/t11-,12+
InChIKeyABNVRGNXKSTEOK-TXEJJXNPSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze cis-(1S,2R)-1,2-dipropylcyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-ethyl-2-propylcyclohexane
CID 142312859
ethane;(2S)-1-ethyl-2-propylcyclohexane
CID 143012565
trans-(1R,2R)-1-butyl-2-propylcyclopentane
CID 14574886
[(1S,2S)-2-propylcyclopentyl]methanamine
CID 124512847
1-pentyl-2-propylcyclopentane
CID 549948
(1R)-2-propylcyclohexan-1-ol
CID 144627240
1-(3-methoxypropyl)-2-propylcyclohexane
CID 134612935
N-[(2-propylcycloheptyl)methyl]cyclopropanamine
CID 81026279
(1R,4aS,8aR)-1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 97184727
N-[2-[(1R,2R)-2-propylcyclopentyl]ethyl]cyclohexanamine
CID 125469957
1-(2-propylcyclohexyl)nonane-3,6-dione
CID 70817360
trans-(1S,2R)-1-ethoxy-2-propylcyclohexane
CID 94034878

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-1,2-dipropylcyclohexane?
The IUPAC name of cis-(1S,2R)-1,2-dipropylcyclohexane (CID 143217114) is cis-(1S,2R)-1,2-dipropylcyclohexane.
What is the SMILES notation for cis-(1S,2R)-1,2-dipropylcyclohexane?
The canonical SMILES for cis-(1S,2R)-1,2-dipropylcyclohexane is CCC[C@@H]1CCCC[C@@H]1CCC.
What is the InChIKey of cis-(1S,2R)-1,2-dipropylcyclohexane?
The InChIKey is ABNVRGNXKSTEOK-TXEJJXNPSA-N. The full InChI is InChI=1S/C12H24/c1-3-7-11-9-5-6-10-12(11)8-4-2/h11-12H,3-10H2,1-2H3/t11-,12+.
What are the key properties of cis-(1S,2R)-1,2-dipropylcyclohexane?
cis-(1S,2R)-1,2-dipropylcyclohexane has a molecular weight of 168.32 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-1,2-dipropylcyclohexane is sourced from PubChem (CID 143217114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).