trans-(1S,2S)-1,2-diethyl-4-propan-2-ylidenecyclohexane

C13H24 — CID 162882634

IUPACtrans-(1S,2S)-1,2-diethyl-4-propan-2-ylidenecyclohexane
SMILESCC[C@H]1CCC(=C(C)C)C[C@@H]1CC
InChIInChI=1S/C13H24/c1-5-11-7-8-13(10(3)4)9-12(11)6-2/h11-12H,5-9H2,1-4H3/t11-,12-/m0/s1
InChIKeyZJRUGJMFHHMEOY-RYUDHWBXSA-N
MW180.33 g/mol
LogP4.56
Rot. Bonds2

About trans-(1S,2S)-1,2-diethyl-4-propan-2-ylidenecyclohexane

trans-(1S,2S)-1,2-diethyl-4-propan-2-ylidenecyclohexane (PubChem CID 162882634) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is trans-(1S,2S)-1,2-diethyl-4-propan-2-ylidenecyclohexane.

Molecular Properties

Compound Nametrans-(1S,2S)-1,2-diethyl-4-propan-2-ylidenecyclohexane
PubChem CID162882634
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Nametrans-(1S,2S)-1,2-diethyl-4-propan-2-ylidenecyclohexane
SMILESCC[C@H]1CCC(=C(C)C)C[C@@H]1CC
InChIInChI=1S/C13H24/c1-5-11-7-8-13(10(3)4)9-12(11)6-2/h11-12H,5-9H2,1-4H3/t11-,12-/m0/s1
InChIKeyZJRUGJMFHHMEOY-RYUDHWBXSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze trans-(1S,2S)-1,2-diethyl-4-propan-2-ylidenecyclohexane 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

p-Menth-4(8)-ene
CID 517975
m-Menth-3(8)-ene
CID 518828
1-Menthene
CID 25445
Isobisabolene
CID 21724304
o-Menth-8-ene
CID 519074
(3S,4aR,5R)-3,8-dimethyl-5-propan-2-yl-1,2,3,4,4a,5,6,7-octahydronaphthalene
CID 163050319
1,2,3-Trimethylcyclohex-1-ene
CID 12537123
1,2-Dimethyl-4-(prop-1-en-2-yl)cyclohex-1-ene
CID 524202
1-Tert-butyl-4-isopropylidene-cyclohexane
CID 4429565
(1R,2S)-1-Methyl-2-(prop-1-en-2-yl)cyclohexane
CID 71354078
Methyl (+)-limonene
CID 124556688
trans-8-o-Menthene
CID 13034858

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-1,2-diethyl-4-propan-2-ylidenecyclohexane?
The IUPAC name of trans-(1S,2S)-1,2-diethyl-4-propan-2-ylidenecyclohexane (CID 162882634) is trans-(1S,2S)-1,2-diethyl-4-propan-2-ylidenecyclohexane.
What is the SMILES notation for trans-(1S,2S)-1,2-diethyl-4-propan-2-ylidenecyclohexane?
The canonical SMILES for trans-(1S,2S)-1,2-diethyl-4-propan-2-ylidenecyclohexane is CC[C@H]1CCC(=C(C)C)C[C@@H]1CC.
What is the InChIKey of trans-(1S,2S)-1,2-diethyl-4-propan-2-ylidenecyclohexane?
The InChIKey is ZJRUGJMFHHMEOY-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H24/c1-5-11-7-8-13(10(3)4)9-12(11)6-2/h11-12H,5-9H2,1-4H3/t11-,12-/m0/s1.
What are the key properties of trans-(1S,2S)-1,2-diethyl-4-propan-2-ylidenecyclohexane?
trans-(1S,2S)-1,2-diethyl-4-propan-2-ylidenecyclohexane has a molecular weight of 180.33 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1,2-diethyl-4-propan-2-ylidenecyclohexane is sourced from PubChem (CID 162882634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).