3-[3-cyclohexyl-1-(3-hydroxypropoxy)propoxy]propan-1-ol

C15H30O4 — CID 102050115

IUPAC3-[3-cyclohexyl-1-(3-hydroxypropoxy)propoxy]propan-1-ol
SMILESOCCCOC(CCC1CCCCC1)OCCCO
InChIInChI=1S/C15H30O4/c16-10-4-12-18-15(19-13-5-11-17)9-8-14-6-2-1-3-7-14/h14-17H,1-13H2
InChIKeyFTRLTYUCEXJICQ-UHFFFAOYSA-N
MW274.40 g/mol
LogP2.47
Rot. Bonds11

About 3-[3-cyclohexyl-1-(3-hydroxypropoxy)propoxy]propan-1-ol

3-[3-cyclohexyl-1-(3-hydroxypropoxy)propoxy]propan-1-ol (PubChem CID 102050115) has the molecular formula C15H30O4 and a molecular weight of 274.40 g/mol. Its IUPAC name is 3-[3-cyclohexyl-1-(3-hydroxypropoxy)propoxy]propan-1-ol.

Molecular Properties

Compound Name3-[3-cyclohexyl-1-(3-hydroxypropoxy)propoxy]propan-1-ol
PubChem CID102050115
Molecular FormulaC15H30O4
Molecular Weight274.40 g/mol
Exact Mass274.21
IUPAC Name3-[3-cyclohexyl-1-(3-hydroxypropoxy)propoxy]propan-1-ol
SMILESOCCCOC(CCC1CCCCC1)OCCCO
InChIInChI=1S/C15H30O4/c16-10-4-12-18-15(19-13-5-11-17)9-8-14-6-2-1-3-7-14/h14-17H,1-13H2
InChIKeyFTRLTYUCEXJICQ-UHFFFAOYSA-N
XLogP2.47
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(2-cyclopentylethoxy)propan-1-ol
CID 174164261
4-cycloheptylbutan-1-ol
CID 54439965
11-cyclohexylundecan-1-ol
CID 18980516
2-cycloheptyl-2-(3-hydroxypropoxy)acetic acid
CID 83224076
3,3-dimethoxypropylcyclopentane
CID 58449962
5-cyclohexyl-5-sulfanylpentan-1-ol
CID 87600035
3-(difluoromethoxy)propylcyclohexane
CID 25223055
1,5-dicyclohexylpentan-3-ol
CID 56981010
8-cyclopentyloctan-1-ol
CID 19083491
(2S)-4-cyclohexylbutane-1,2-diol
CID 11171243
2-propan-2-yloxyethylcycloheptane
CID 123201160
4-amino-5-cyclohexylpentan-1-ol
CID 82406010

Frequently Asked Questions

What is the IUPAC name of 3-[3-cyclohexyl-1-(3-hydroxypropoxy)propoxy]propan-1-ol?
The IUPAC name of 3-[3-cyclohexyl-1-(3-hydroxypropoxy)propoxy]propan-1-ol (CID 102050115) is 3-[3-cyclohexyl-1-(3-hydroxypropoxy)propoxy]propan-1-ol.
What is the SMILES notation for 3-[3-cyclohexyl-1-(3-hydroxypropoxy)propoxy]propan-1-ol?
The canonical SMILES for 3-[3-cyclohexyl-1-(3-hydroxypropoxy)propoxy]propan-1-ol is OCCCOC(CCC1CCCCC1)OCCCO.
What is the InChIKey of 3-[3-cyclohexyl-1-(3-hydroxypropoxy)propoxy]propan-1-ol?
The InChIKey is FTRLTYUCEXJICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O4/c16-10-4-12-18-15(19-13-5-11-17)9-8-14-6-2-1-3-7-14/h14-17H,1-13H2.
What are the key properties of 3-[3-cyclohexyl-1-(3-hydroxypropoxy)propoxy]propan-1-ol?
3-[3-cyclohexyl-1-(3-hydroxypropoxy)propoxy]propan-1-ol has a molecular weight of 274.40 g/mol, XLogP of 2.47, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-cyclohexyl-1-(3-hydroxypropoxy)propoxy]propan-1-ol is sourced from PubChem (CID 102050115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).