1-pentyl-4-prop-1-ynylcyclohexane

C14H24 — CID 90984022

IUPAC1-pentyl-4-prop-1-ynylcyclohexane
SMILESCC#CC1CCC(CCCCC)CC1
InChIInChI=1S/C14H24/c1-3-5-6-8-14-11-9-13(7-4-2)10-12-14/h13-14H,3,5-6,8-12H2,1-2H3
InChIKeyQMGZHCQFGNTILN-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.40
Rot. Bonds4

About 1-pentyl-4-prop-1-ynylcyclohexane

1-pentyl-4-prop-1-ynylcyclohexane (PubChem CID 90984022) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 1-pentyl-4-prop-1-ynylcyclohexane.

Molecular Properties

Compound Name1-pentyl-4-prop-1-ynylcyclohexane
PubChem CID90984022
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name1-pentyl-4-prop-1-ynylcyclohexane
SMILESCC#CC1CCC(CCCCC)CC1
InChIInChI=1S/C14H24/c1-3-5-6-8-14-11-9-13(7-4-2)10-12-14/h13-14H,3,5-6,8-12H2,1-2H3
InChIKeyQMGZHCQFGNTILN-UHFFFAOYSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-heptyl-4-[2-(4-propylcyclohexyl)ethynyl]cyclohexane
CID 19985111
1-ethyl-4-[2-(4-heptylcyclohexyl)ethynyl]cyclohexane
CID 19985073
1-butyl-4-[(E)-6-(4-pentylcyclohexyl)hex-3-en-1,5-diynyl]cyclohexane
CID 19424985
hexane;pentylcyclopropane
CID 159592467
1,4-dihexylcyclohexane
CID 22947938
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
octadecane;pentadecylcyclopropane
CID 173301851
tetradecane;undecylcyclopropane
CID 173215670
1,4-bis[2-(4-pentylcyclohexyl)ethynyl]benzene
CID 19983762
azane;hexylcyclopropane
CID 135322230
1-propyl-4-[2-(4-propylcyclohexyl)ethynyl]cyclohexane
CID 145484566
4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexane-1-carbonitrile;trihydrate
CID 157133705

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-4-prop-1-ynylcyclohexane?
The IUPAC name of 1-pentyl-4-prop-1-ynylcyclohexane (CID 90984022) is 1-pentyl-4-prop-1-ynylcyclohexane.
What is the SMILES notation for 1-pentyl-4-prop-1-ynylcyclohexane?
The canonical SMILES for 1-pentyl-4-prop-1-ynylcyclohexane is CC#CC1CCC(CCCCC)CC1.
What is the InChIKey of 1-pentyl-4-prop-1-ynylcyclohexane?
The InChIKey is QMGZHCQFGNTILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-3-5-6-8-14-11-9-13(7-4-2)10-12-14/h13-14H,3,5-6,8-12H2,1-2H3.
What are the key properties of 1-pentyl-4-prop-1-ynylcyclohexane?
1-pentyl-4-prop-1-ynylcyclohexane has a molecular weight of 192.35 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-4-prop-1-ynylcyclohexane is sourced from PubChem (CID 90984022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).