(4,4-dimethyl-3-methylidenepent-1-ynyl)cyclohexane

C14H22 — CID 58408810

IUPAC(4,4-dimethyl-3-methylidenepent-1-ynyl)cyclohexane
SMILESC=C(C#CC1CCCCC1)C(C)(C)C
InChIInChI=1S/C14H22/c1-12(14(2,3)4)10-11-13-8-6-5-7-9-13/h13H,1,5-9H2,2-4H3
InChIKeyQOSNQTOBBQJXOJ-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.17
Rot. Bonds

About (4,4-dimethyl-3-methylidenepent-1-ynyl)cyclohexane

(4,4-dimethyl-3-methylidenepent-1-ynyl)cyclohexane (PubChem CID 58408810) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is (4,4-dimethyl-3-methylidenepent-1-ynyl)cyclohexane.

Molecular Properties

Compound Name(4,4-dimethyl-3-methylidenepent-1-ynyl)cyclohexane
PubChem CID58408810
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name(4,4-dimethyl-3-methylidenepent-1-ynyl)cyclohexane
SMILESC=C(C#CC1CCCCC1)C(C)(C)C
InChIInChI=1S/C14H22/c1-12(14(2,3)4)10-11-13-8-6-5-7-9-13/h13H,1,5-9H2,2-4H3
InChIKeyQOSNQTOBBQJXOJ-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

prop-1-ynylcyclododecane
CID 141054951
but-3-en-1-ynylcyclohexane
CID 10931474
(Z)-2-(2-chlorophenyl)-6-cyclohexyl-3,4-diphenylhex-3-en-5-yn-2-ol
CID 101488163
3,3,3-trifluoroprop-1-ynylcyclohexane
CID 91536674
4-prop-1-ynylcyclododecan-1-ol
CID 141054947
lithium 2-cyclohexylethynolate
CID 23667969
1-cyclohexyl-4,4-dimethyl-2-methylidenepentane-1,3-diol
CID 100941644
3-propylhex-1-ynylcyclohexane
CID 174832494
1-(4-cyclopentylbut-3-yn-2-yl)-1-hydroxyurea
CID 19422106
2-cyclohexyl-3,3-dimethylbut-1-ene-1-thione
CID 12772276
1-cyclohexyl-4-methylpent-2-yne-1,4-diol
CID 18509553
prop-1-ynylcyclopentane
CID 20764675

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethyl-3-methylidenepent-1-ynyl)cyclohexane?
The IUPAC name of (4,4-dimethyl-3-methylidenepent-1-ynyl)cyclohexane (CID 58408810) is (4,4-dimethyl-3-methylidenepent-1-ynyl)cyclohexane.
What is the SMILES notation for (4,4-dimethyl-3-methylidenepent-1-ynyl)cyclohexane?
The canonical SMILES for (4,4-dimethyl-3-methylidenepent-1-ynyl)cyclohexane is C=C(C#CC1CCCCC1)C(C)(C)C.
What is the InChIKey of (4,4-dimethyl-3-methylidenepent-1-ynyl)cyclohexane?
The InChIKey is QOSNQTOBBQJXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-12(14(2,3)4)10-11-13-8-6-5-7-9-13/h13H,1,5-9H2,2-4H3.
What are the key properties of (4,4-dimethyl-3-methylidenepent-1-ynyl)cyclohexane?
(4,4-dimethyl-3-methylidenepent-1-ynyl)cyclohexane has a molecular weight of 190.33 g/mol, XLogP of 4.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethyl-3-methylidenepent-1-ynyl)cyclohexane is sourced from PubChem (CID 58408810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).