trans-(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclohexane

C10H18 — CID 163550244

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

About trans-(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclohexane

trans-(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclohexane (PubChem CID 163550244) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is trans-(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclohexane.

Molecular Properties

Compound Nametrans-(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclohexane
PubChem CID163550244
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Nametrans-(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclohexane
SMILESC=C(C)[C@H]1CCCC[C@@H]1C
InChIInChI=1S/C10H18/c1-8(2)10-7-5-4-6-9(10)3/h9-10H,1,4-7H2,2-3H3/t9-,10+/m0/s1
InChIKeyFILMMSADAAQBJS-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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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclohexane?
The IUPAC name of trans-(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclohexane (CID 163550244) is trans-(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclohexane.
What is the SMILES notation for trans-(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclohexane?
The canonical SMILES for trans-(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclohexane is C=C(C)[C@H]1CCCC[C@@H]1C.
What is the InChIKey of trans-(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclohexane?
The InChIKey is FILMMSADAAQBJS-VHSXEESVSA-N. The full InChI is InChI=1S/C10H18/c1-8(2)10-7-5-4-6-9(10)3/h9-10H,1,4-7H2,2-3H3/t9-,10+/m0/s1.
What are the key properties of trans-(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclohexane?
trans-(1S,2S)-1-methyl-2-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 trans-(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclohexane is sourced from PubChem (CID 163550244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).