1,1-dimethylcyclohexane;(Z)-hept-3-en-1-yne

C15H26 — CID 142322103

IUPAC1,1-dimethylcyclohexane;(Z)-hept-3-en-1-yne
SMILESC#C/C=C\CCC.CC1(C)CCCCC1
InChIInChI=1S/C8H16.C7H10/c1-8(2)6-4-3-5-7-8;1-3-5-7-6-4-2/h3-7H2,1-2H3;1,5,7H,4,6H2,2H3/b;7-5-
InChIKeyLRLBRQWBIOVJAM-GMLUHMIMSA-N
MW206.37 g/mol
LogP4.95
Rot. Bonds2

About 1,1-dimethylcyclohexane;(Z)-hept-3-en-1-yne

1,1-dimethylcyclohexane;(Z)-hept-3-en-1-yne (PubChem CID 142322103) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is 1,1-dimethylcyclohexane;(Z)-hept-3-en-1-yne.

Molecular Properties

Compound Name1,1-dimethylcyclohexane;(Z)-hept-3-en-1-yne
PubChem CID142322103
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name1,1-dimethylcyclohexane;(Z)-hept-3-en-1-yne
SMILESC#C/C=C\CCC.CC1(C)CCCCC1
InChIInChI=1S/C8H16.C7H10/c1-8(2)6-4-3-5-7-8;1-3-5-7-6-4-2/h3-7H2,1-2H3;1,5,7H,4,6H2,2H3/b;7-5-
InChIKeyLRLBRQWBIOVJAM-GMLUHMIMSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.37
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethylcyclohexane;(Z)-hept-3-en-1-yne?
The IUPAC name of 1,1-dimethylcyclohexane;(Z)-hept-3-en-1-yne (CID 142322103) is 1,1-dimethylcyclohexane;(Z)-hept-3-en-1-yne.
What is the SMILES notation for 1,1-dimethylcyclohexane;(Z)-hept-3-en-1-yne?
The canonical SMILES for 1,1-dimethylcyclohexane;(Z)-hept-3-en-1-yne is C#C/C=C\CCC.CC1(C)CCCCC1.
What is the InChIKey of 1,1-dimethylcyclohexane;(Z)-hept-3-en-1-yne?
The InChIKey is LRLBRQWBIOVJAM-GMLUHMIMSA-N. The full InChI is InChI=1S/C8H16.C7H10/c1-8(2)6-4-3-5-7-8;1-3-5-7-6-4-2/h3-7H2,1-2H3;1,5,7H,4,6H2,2H3/b;7-5-.
What are the key properties of 1,1-dimethylcyclohexane;(Z)-hept-3-en-1-yne?
1,1-dimethylcyclohexane;(Z)-hept-3-en-1-yne has a molecular weight of 206.37 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethylcyclohexane;(Z)-hept-3-en-1-yne is sourced from PubChem (CID 142322103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).