1-(3-propoxyprop-1-ynyl)cyclohexan-1-ol

C12H20O2 — CID 134884657

IUPAC1-(3-propoxyprop-1-ynyl)cyclohexan-1-ol
SMILESCCCOCC#CC1(O)CCCCC1
InChIInChI=1S/C12H20O2/c1-2-10-14-11-6-9-12(13)7-4-3-5-8-12/h13H,2-5,7-8,10-11H2,1H3
InChIKeyNXFQQIRBHVIZAM-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.11
Rot. Bonds3

About 1-(3-propoxyprop-1-ynyl)cyclohexan-1-ol

1-(3-propoxyprop-1-ynyl)cyclohexan-1-ol (PubChem CID 134884657) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(3-propoxyprop-1-ynyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(3-propoxyprop-1-ynyl)cyclohexan-1-ol
PubChem CID134884657
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name1-(3-propoxyprop-1-ynyl)cyclohexan-1-ol
SMILESCCCOCC#CC1(O)CCCCC1
InChIInChI=1S/C12H20O2/c1-2-10-14-11-6-9-12(13)7-4-3-5-8-12/h13H,2-5,7-8,10-11H2,1H3
InChIKeyNXFQQIRBHVIZAM-UHFFFAOYSA-N
XLogP2.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-propoxyprop-1-ynyl)cyclohexan-1-ol?
The IUPAC name of 1-(3-propoxyprop-1-ynyl)cyclohexan-1-ol (CID 134884657) is 1-(3-propoxyprop-1-ynyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(3-propoxyprop-1-ynyl)cyclohexan-1-ol?
The canonical SMILES for 1-(3-propoxyprop-1-ynyl)cyclohexan-1-ol is CCCOCC#CC1(O)CCCCC1.
What is the InChIKey of 1-(3-propoxyprop-1-ynyl)cyclohexan-1-ol?
The InChIKey is NXFQQIRBHVIZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-10-14-11-6-9-12(13)7-4-3-5-8-12/h13H,2-5,7-8,10-11H2,1H3.
What are the key properties of 1-(3-propoxyprop-1-ynyl)cyclohexan-1-ol?
1-(3-propoxyprop-1-ynyl)cyclohexan-1-ol has a molecular weight of 196.29 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propoxyprop-1-ynyl)cyclohexan-1-ol is sourced from PubChem (CID 134884657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).