trans-(1S,3S)-1-prop-1-en-2-yl-3-propylcyclohexane

C12H22 — CID 155697508

IUPACtrans-(1S,3S)-1-prop-1-en-2-yl-3-propylcyclohexane
SMILESC=C(C)[C@H]1CCC[C@H](CCC)C1
InChIInChI=1S/C12H22/c1-4-6-11-7-5-8-12(9-11)10(2)3/h11-12H,2,4-9H2,1,3H3/t11-,12-/m0/s1
InChIKeyIQLYWTICHOPNKW-RYUDHWBXSA-N
MW166.31 g/mol
LogP4.17
Rot. Bonds3

About trans-(1S,3S)-1-prop-1-en-2-yl-3-propylcyclohexane

trans-(1S,3S)-1-prop-1-en-2-yl-3-propylcyclohexane (PubChem CID 155697508) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is trans-(1S,3S)-1-prop-1-en-2-yl-3-propylcyclohexane.

Molecular Properties

Compound Nametrans-(1S,3S)-1-prop-1-en-2-yl-3-propylcyclohexane
PubChem CID155697508
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Nametrans-(1S,3S)-1-prop-1-en-2-yl-3-propylcyclohexane
SMILESC=C(C)[C@H]1CCC[C@H](CCC)C1
InChIInChI=1S/C12H22/c1-4-6-11-7-5-8-12(9-11)10(2)3/h11-12H,2,4-9H2,1,3H3/t11-,12-/m0/s1
InChIKeyIQLYWTICHOPNKW-RYUDHWBXSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze trans-(1S,3S)-1-prop-1-en-2-yl-3-propylcyclohexane 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

1-[(1S,3R)-3-propylcycloheptyl]ethanone
CID 165024764
3-propylcyclohexane-1-carboxamide
CID 141116974
1-ethyl-4-prop-1-en-2-yl-2-propylcyclohexane
CID 166161434
1-ethyl-3-propylcyclohexane
CID 22129036
cis-(1R,3S)-1-methyl-3-propylcyclohexane
CID 154071124
cis-(1S,3R)-1-methyl-3-prop-1-en-2-ylcyclohexane
CID 13138751
3-propylbicyclo[5.1.0]octane
CID 123651402
1-chloro-3-propylcyclohexane
CID 64516368
N-[(3-propylcyclohexyl)methyl]methanimine
CID 174320248
1-(3-ethylcyclohexyl)ethanethione
CID 175971098
hydrazine;propylcyclobutane;hydrochloride
CID 18995287
3-hexylcyclohexane-1-carboxylic acid
CID 66817282

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-1-prop-1-en-2-yl-3-propylcyclohexane?
The IUPAC name of trans-(1S,3S)-1-prop-1-en-2-yl-3-propylcyclohexane (CID 155697508) is trans-(1S,3S)-1-prop-1-en-2-yl-3-propylcyclohexane.
What is the SMILES notation for trans-(1S,3S)-1-prop-1-en-2-yl-3-propylcyclohexane?
The canonical SMILES for trans-(1S,3S)-1-prop-1-en-2-yl-3-propylcyclohexane is C=C(C)[C@H]1CCC[C@H](CCC)C1.
What is the InChIKey of trans-(1S,3S)-1-prop-1-en-2-yl-3-propylcyclohexane?
The InChIKey is IQLYWTICHOPNKW-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H22/c1-4-6-11-7-5-8-12(9-11)10(2)3/h11-12H,2,4-9H2,1,3H3/t11-,12-/m0/s1.
What are the key properties of trans-(1S,3S)-1-prop-1-en-2-yl-3-propylcyclohexane?
trans-(1S,3S)-1-prop-1-en-2-yl-3-propylcyclohexane has a molecular weight of 166.31 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-1-prop-1-en-2-yl-3-propylcyclohexane is sourced from PubChem (CID 155697508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).