cis-(1S,3R)-1-methyl-3-prop-1-en-2-ylcyclohexane

C10H18 — CID 13138751

IUPACcis-(1S,3R)-1-methyl-3-prop-1-en-2-ylcyclohexane
SMILESC=C(C)[C@@H]1CCC[C@H](C)C1
InChIInChI=1S/C10H18/c1-8(2)10-6-4-5-9(3)7-10/h9-10H,1,4-7H2,2-3H3/t9-,10+/m0/s1
InChIKeyWOUXRHNTGOLKPF-VHSXEESVSA-N
MW138.25 g/mol
LogP3.39
Rot. Bonds1

About cis-(1S,3R)-1-methyl-3-prop-1-en-2-ylcyclohexane

cis-(1S,3R)-1-methyl-3-prop-1-en-2-ylcyclohexane (PubChem CID 13138751) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is cis-(1S,3R)-1-methyl-3-prop-1-en-2-ylcyclohexane.

Molecular Properties

Compound Namecis-(1S,3R)-1-methyl-3-prop-1-en-2-ylcyclohexane
PubChem CID13138751
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Namecis-(1S,3R)-1-methyl-3-prop-1-en-2-ylcyclohexane
SMILESC=C(C)[C@@H]1CCC[C@H](C)C1
InChIInChI=1S/C10H18/c1-8(2)10-6-4-5-9(3)7-10/h9-10H,1,4-7H2,2-3H3/t9-,10+/m0/s1
InChIKeyWOUXRHNTGOLKPF-VHSXEESVSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethyl-5-prop-1-en-2-ylcyclohexane
CID 90969258
trans-(1S,3S)-3-methylcyclohexane-1-carboxylic acid
CID 86308884
3-prop-1-en-2-ylcyclododecan-1-ol
CID 24977822
(1R)-1,3-dimethylcyclohexane
CID 12594306
trans-(1S,3S)-1-prop-1-en-2-yl-3-propylcyclohexane
CID 155697508
3-methyl-1-[(1S,3R)-3-methylcyclohexyl]but-2-en-1-one
CID 89432660
1-[(2E,4Z)-6-methoxy-4-methylhepta-2,4,6-trien-2-yl]-3-methylcyclohexane
CID 143703955
cis-[(1R,3S)-3-methylcyclohexanecarbonyl] (1S,3R)-3-methylcyclohexane-1-carboxylate
CID 98119844
cis-methyl (1R,3S)-3-methylcyclohexane-1-carboxylate
CID 91799283
methyl (1S)-3-methylcyclohexane-1-carboxylate
CID 89338226
1-methyl-3-(3-methylbut-3-en-2-yl)cyclohexane
CID 139213261
CID 175388606
CID 175388606

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-1-methyl-3-prop-1-en-2-ylcyclohexane?
The IUPAC name of cis-(1S,3R)-1-methyl-3-prop-1-en-2-ylcyclohexane (CID 13138751) is cis-(1S,3R)-1-methyl-3-prop-1-en-2-ylcyclohexane.
What is the SMILES notation for cis-(1S,3R)-1-methyl-3-prop-1-en-2-ylcyclohexane?
The canonical SMILES for cis-(1S,3R)-1-methyl-3-prop-1-en-2-ylcyclohexane is C=C(C)[C@@H]1CCC[C@H](C)C1.
What is the InChIKey of cis-(1S,3R)-1-methyl-3-prop-1-en-2-ylcyclohexane?
The InChIKey is WOUXRHNTGOLKPF-VHSXEESVSA-N. The full InChI is InChI=1S/C10H18/c1-8(2)10-6-4-5-9(3)7-10/h9-10H,1,4-7H2,2-3H3/t9-,10+/m0/s1.
What are the key properties of cis-(1S,3R)-1-methyl-3-prop-1-en-2-ylcyclohexane?
cis-(1S,3R)-1-methyl-3-prop-1-en-2-ylcyclohexane has a molecular weight of 138.25 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-1-methyl-3-prop-1-en-2-ylcyclohexane is sourced from PubChem (CID 13138751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).