acetylene;1,1-dimethyl-2-methylidenecyclohexane

C11H18 — CID 91391286

IUPACacetylene;1,1-dimethyl-2-methylidenecyclohexane
SMILESC#C.C=C1CCCCC1(C)C
InChIInChI=1S/C9H16.C2H2/c1-8-6-4-5-7-9(8,2)3;1-2/h1,4-7H2,2-3H3;1-2H
InChIKeyNXCKRAHZEJIFMD-UHFFFAOYSA-N
MW150.27 g/mol
LogP3.39
Rot. Bonds

About acetylene;1,1-dimethyl-2-methylidenecyclohexane

acetylene;1,1-dimethyl-2-methylidenecyclohexane (PubChem CID 91391286) has the molecular formula C11H18 and a molecular weight of 150.27 g/mol. Its IUPAC name is acetylene;1,1-dimethyl-2-methylidenecyclohexane.

Molecular Properties

Compound Nameacetylene;1,1-dimethyl-2-methylidenecyclohexane
PubChem CID91391286
Molecular FormulaC11H18
Molecular Weight150.27 g/mol
Exact Mass150.14
IUPAC Nameacetylene;1,1-dimethyl-2-methylidenecyclohexane
SMILESC#C.C=C1CCCCC1(C)C
InChIInChI=1S/C9H16.C2H2/c1-8-6-4-5-7-9(8,2)3;1-2/h1,4-7H2,2-3H3;1-2H
InChIKeyNXCKRAHZEJIFMD-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.27
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetylene;1,1-dimethyl-2-methylidenecyclohexane?
The IUPAC name of acetylene;1,1-dimethyl-2-methylidenecyclohexane (CID 91391286) is acetylene;1,1-dimethyl-2-methylidenecyclohexane.
What is the SMILES notation for acetylene;1,1-dimethyl-2-methylidenecyclohexane?
The canonical SMILES for acetylene;1,1-dimethyl-2-methylidenecyclohexane is C#C.C=C1CCCCC1(C)C.
What is the InChIKey of acetylene;1,1-dimethyl-2-methylidenecyclohexane?
The InChIKey is NXCKRAHZEJIFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16.C2H2/c1-8-6-4-5-7-9(8,2)3;1-2/h1,4-7H2,2-3H3;1-2H.
What are the key properties of acetylene;1,1-dimethyl-2-methylidenecyclohexane?
acetylene;1,1-dimethyl-2-methylidenecyclohexane has a molecular weight of 150.27 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;1,1-dimethyl-2-methylidenecyclohexane is sourced from PubChem (CID 91391286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).