(1S,2S,4R)-1-ethenyl-4-(2-methoxypropan-2-yl)-1-methyl-2-prop-1-en-2-ylcyclohexane

C16H28O — CID 139317185

IUPAC(1S,2S,4R)-1-ethenyl-4-(2-methoxypropan-2-yl)-1-methyl-2-prop-1-en-2-ylcyclohexane
SMILESC=C[C@]1(C)CC[C@@H](C(C)(C)OC)C[C@H]1C(=C)C
InChIInChI=1S/C16H28O/c1-8-16(6)10-9-13(15(4,5)17-7)11-14(16)12(2)3/h8,13-14H,1-2,9-11H2,3-7H3/t13-,14+,16-/m1/s1
InChIKeyCKRRDTINIUFWJM-IJEWVQPXSA-N
MW236.40 g/mol
LogP4.60
Rot. Bonds4

About (1S,2S,4R)-1-ethenyl-4-(2-methoxypropan-2-yl)-1-methyl-2-prop-1-en-2-ylcyclohexane

(1S,2S,4R)-1-ethenyl-4-(2-methoxypropan-2-yl)-1-methyl-2-prop-1-en-2-ylcyclohexane (PubChem CID 139317185) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is (1S,2S,4R)-1-ethenyl-4-(2-methoxypropan-2-yl)-1-methyl-2-prop-1-en-2-ylcyclohexane.

Molecular Properties

Compound Name(1S,2S,4R)-1-ethenyl-4-(2-methoxypropan-2-yl)-1-methyl-2-prop-1-en-2-ylcyclohexane
PubChem CID139317185
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name(1S,2S,4R)-1-ethenyl-4-(2-methoxypropan-2-yl)-1-methyl-2-prop-1-en-2-ylcyclohexane
SMILESC=C[C@]1(C)CC[C@@H](C(C)(C)OC)C[C@H]1C(=C)C
InChIInChI=1S/C16H28O/c1-8-16(6)10-9-13(15(4,5)17-7)11-14(16)12(2)3/h8,13-14H,1-2,9-11H2,3-7H3/t13-,14+,16-/m1/s1
InChIKeyCKRRDTINIUFWJM-IJEWVQPXSA-N
XLogP4.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S,2S,4R)-1-ethenyl-4-(2-methoxypropan-2-yl)-1-methyl-2-prop-1-en-2-ylcyclohexane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R)-1-ethenyl-4-(2-methoxypropan-2-yl)-1-methyl-2-prop-1-en-2-ylcyclohexane?
The IUPAC name of (1S,2S,4R)-1-ethenyl-4-(2-methoxypropan-2-yl)-1-methyl-2-prop-1-en-2-ylcyclohexane (CID 139317185) is (1S,2S,4R)-1-ethenyl-4-(2-methoxypropan-2-yl)-1-methyl-2-prop-1-en-2-ylcyclohexane.
What is the SMILES notation for (1S,2S,4R)-1-ethenyl-4-(2-methoxypropan-2-yl)-1-methyl-2-prop-1-en-2-ylcyclohexane?
The canonical SMILES for (1S,2S,4R)-1-ethenyl-4-(2-methoxypropan-2-yl)-1-methyl-2-prop-1-en-2-ylcyclohexane is C=C[C@]1(C)CC[C@@H](C(C)(C)OC)C[C@H]1C(=C)C.
What is the InChIKey of (1S,2S,4R)-1-ethenyl-4-(2-methoxypropan-2-yl)-1-methyl-2-prop-1-en-2-ylcyclohexane?
The InChIKey is CKRRDTINIUFWJM-IJEWVQPXSA-N. The full InChI is InChI=1S/C16H28O/c1-8-16(6)10-9-13(15(4,5)17-7)11-14(16)12(2)3/h8,13-14H,1-2,9-11H2,3-7H3/t13-,14+,16-/m1/s1.
What are the key properties of (1S,2S,4R)-1-ethenyl-4-(2-methoxypropan-2-yl)-1-methyl-2-prop-1-en-2-ylcyclohexane?
(1S,2S,4R)-1-ethenyl-4-(2-methoxypropan-2-yl)-1-methyl-2-prop-1-en-2-ylcyclohexane has a molecular weight of 236.40 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R)-1-ethenyl-4-(2-methoxypropan-2-yl)-1-methyl-2-prop-1-en-2-ylcyclohexane is sourced from PubChem (CID 139317185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).