1-ethynyl-4-(4-propylcyclohexyl)cyclohexan-1-ol

C17H28O — CID 18364504

IUPAC1-ethynyl-4-(4-propylcyclohexyl)cyclohexan-1-ol
SMILESC#CC1(O)CCC(C2CCC(CCC)CC2)CC1
InChIInChI=1S/C17H28O/c1-3-5-14-6-8-15(9-7-14)16-10-12-17(18,4-2)13-11-16/h2,14-16,18H,3,5-13H2,1H3
InChIKeyYLANWHAONKYIAY-UHFFFAOYSA-N
MW248.41 g/mol
LogP4.15
Rot. Bonds3

About 1-ethynyl-4-(4-propylcyclohexyl)cyclohexan-1-ol

1-ethynyl-4-(4-propylcyclohexyl)cyclohexan-1-ol (PubChem CID 18364504) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-ethynyl-4-(4-propylcyclohexyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-ethynyl-4-(4-propylcyclohexyl)cyclohexan-1-ol
PubChem CID18364504
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Name1-ethynyl-4-(4-propylcyclohexyl)cyclohexan-1-ol
SMILESC#CC1(O)CCC(C2CCC(CCC)CC2)CC1
InChIInChI=1S/C17H28O/c1-3-5-14-6-8-15(9-7-14)16-10-12-17(18,4-2)13-11-16/h2,14-16,18H,3,5-13H2,1H3
InChIKeyYLANWHAONKYIAY-UHFFFAOYSA-N
XLogP4.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 18344046
1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane
CID 18344057
1,1-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane
CID 101074767
[1-ethynyl-4-(4-propylcyclohexyl)cyclohexyl] prop-2-enoate
CID 59475452
1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane-1-carbonitrile
CID 18643225
1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 543958
2-[1-ethynyl-4-(4-propylcyclohexyl)cyclohexyl]oxyoxane
CID 59309304
1-(1-hydroxy-4-propylcyclohexyl)-4-propylcyclohexan-1-ol
CID 70888853
(2R,4aS,6S)-2,6-dipropyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol
CID 18603399
2-[4-(4-propylcyclohexyl)cyclohexyl]acetonitrile
CID 14204808
2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]acetonitrile
CID 70840657
2-ethynyl-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane
CID 88888479

Frequently Asked Questions

What is the IUPAC name of 1-ethynyl-4-(4-propylcyclohexyl)cyclohexan-1-ol?
The IUPAC name of 1-ethynyl-4-(4-propylcyclohexyl)cyclohexan-1-ol (CID 18364504) is 1-ethynyl-4-(4-propylcyclohexyl)cyclohexan-1-ol.
What is the SMILES notation for 1-ethynyl-4-(4-propylcyclohexyl)cyclohexan-1-ol?
The canonical SMILES for 1-ethynyl-4-(4-propylcyclohexyl)cyclohexan-1-ol is C#CC1(O)CCC(C2CCC(CCC)CC2)CC1.
What is the InChIKey of 1-ethynyl-4-(4-propylcyclohexyl)cyclohexan-1-ol?
The InChIKey is YLANWHAONKYIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O/c1-3-5-14-6-8-15(9-7-14)16-10-12-17(18,4-2)13-11-16/h2,14-16,18H,3,5-13H2,1H3.
What are the key properties of 1-ethynyl-4-(4-propylcyclohexyl)cyclohexan-1-ol?
1-ethynyl-4-(4-propylcyclohexyl)cyclohexan-1-ol has a molecular weight of 248.41 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethynyl-4-(4-propylcyclohexyl)cyclohexan-1-ol is sourced from PubChem (CID 18364504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).