1-[(E)-4,4-dimethylpent-2-en-2-yl]-2-methylcyclohexane

C14H26 — CID 6147701

IUPAC1-[(E)-4,4-dimethylpent-2-en-2-yl]-2-methylcyclohexane
SMILESC/C(=C\C(C)(C)C)C1CCCCC1C
InChIInChI=1S/C14H26/c1-11-8-6-7-9-13(11)12(2)10-14(3,4)5/h10-11,13H,6-9H2,1-5H3/b12-10+
InChIKeyRXTCEVLYKPZPTA-ZRDIBKRKSA-N
MW194.36 g/mol
LogP4.81
Rot. Bonds1

About 1-[(E)-4,4-dimethylpent-2-en-2-yl]-2-methylcyclohexane

1-[(E)-4,4-dimethylpent-2-en-2-yl]-2-methylcyclohexane (PubChem CID 6147701) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 1-[(E)-4,4-dimethylpent-2-en-2-yl]-2-methylcyclohexane.

Molecular Properties

Compound Name1-[(E)-4,4-dimethylpent-2-en-2-yl]-2-methylcyclohexane
PubChem CID6147701
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name1-[(E)-4,4-dimethylpent-2-en-2-yl]-2-methylcyclohexane
SMILESC/C(=C\C(C)(C)C)C1CCCCC1C
InChIInChI=1S/C14H26/c1-11-8-6-7-9-13(11)12(2)10-14(3,4)5/h10-11,13H,6-9H2,1-5H3/b12-10+
InChIKeyRXTCEVLYKPZPTA-ZRDIBKRKSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.81
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 1-[(E)-4,4-dimethylpent-2-en-2-yl]-2-methylcyclohexane?
The IUPAC name of 1-[(E)-4,4-dimethylpent-2-en-2-yl]-2-methylcyclohexane (CID 6147701) is 1-[(E)-4,4-dimethylpent-2-en-2-yl]-2-methylcyclohexane.
What is the SMILES notation for 1-[(E)-4,4-dimethylpent-2-en-2-yl]-2-methylcyclohexane?
The canonical SMILES for 1-[(E)-4,4-dimethylpent-2-en-2-yl]-2-methylcyclohexane is C/C(=C\C(C)(C)C)C1CCCCC1C.
What is the InChIKey of 1-[(E)-4,4-dimethylpent-2-en-2-yl]-2-methylcyclohexane?
The InChIKey is RXTCEVLYKPZPTA-ZRDIBKRKSA-N. The full InChI is InChI=1S/C14H26/c1-11-8-6-7-9-13(11)12(2)10-14(3,4)5/h10-11,13H,6-9H2,1-5H3/b12-10+.
What are the key properties of 1-[(E)-4,4-dimethylpent-2-en-2-yl]-2-methylcyclohexane?
1-[(E)-4,4-dimethylpent-2-en-2-yl]-2-methylcyclohexane has a molecular weight of 194.36 g/mol, XLogP of 4.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4,4-dimethylpent-2-en-2-yl]-2-methylcyclohexane is sourced from PubChem (CID 6147701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).