cis-(1R,2S)-2-(octadecoxymethyl)cyclopentan-1-ol

C24H48O2 — CID 56971486

IUPACcis-(1R,2S)-2-(octadecoxymethyl)cyclopentan-1-ol
SMILESCCCCCCCCCCCCCCCCCCOC[C@@H]1CCC[C@H]1O
InChIInChI=1S/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-22-23-19-18-20-24(23)25/h23-25H,2-22H2,1H3/t23-,24+/m0/s1
InChIKeyPBVPPSVDLBHVPY-BJKOFHAPSA-N
MW368.65 g/mol
LogP7.43
Rot. Bonds19

About cis-(1R,2S)-2-(octadecoxymethyl)cyclopentan-1-ol

cis-(1R,2S)-2-(octadecoxymethyl)cyclopentan-1-ol (PubChem CID 56971486) has the molecular formula C24H48O2 and a molecular weight of 368.65 g/mol. Its IUPAC name is cis-(1R,2S)-2-(octadecoxymethyl)cyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-(octadecoxymethyl)cyclopentan-1-ol
PubChem CID56971486
Molecular FormulaC24H48O2
Molecular Weight368.65 g/mol
Exact Mass368.37
IUPAC Namecis-(1R,2S)-2-(octadecoxymethyl)cyclopentan-1-ol
SMILESCCCCCCCCCCCCCCCCCCOC[C@@H]1CCC[C@H]1O
InChIInChI=1S/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-22-23-19-18-20-24(23)25/h23-25H,2-22H2,1H3/t23-,24+/m0/s1
InChIKeyPBVPPSVDLBHVPY-BJKOFHAPSA-N
XLogP7.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.65
LogP ≤ 57.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-heptoxyethyl)cyclopentan-1-ol
CID 79563672
trans-(1R,2S)-2-hexylcyclopentan-1-ol
CID 10797255
cis-(1S,2S)-2-hexylcyclopentan-1-ol
CID 10654739
2-[(4-hexoxyphenyl)methyl]cyclohexan-1-ol
CID 82185858
2-(2-propoxyethyl)cyclopentan-1-ol
CID 79564356
(1R,2R,3R)-1,2-dibutoxy-3-(butoxymethyl)cyclohexane
CID 71267912
2-[[(3-hexoxy-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol
CID 64910739
2-heptoxycyclohexan-1-ol
CID 18953012
(2S,3R,4S)-4-amino-2-(nonoxymethyl)oxolan-3-ol
CID 132525337
dodecoxymethylcyclopropane;methane;tetradecoxymethylcyclopropane;tridecoxymethylcyclopropane
CID 161458556
ethyl formate;2-hexylcyclopentan-1-ol
CID 161366289
acetic acid;2-pentylcyclopentan-1-ol
CID 71231001

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(octadecoxymethyl)cyclopentan-1-ol?
The IUPAC name of cis-(1R,2S)-2-(octadecoxymethyl)cyclopentan-1-ol (CID 56971486) is cis-(1R,2S)-2-(octadecoxymethyl)cyclopentan-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-(octadecoxymethyl)cyclopentan-1-ol?
The canonical SMILES for cis-(1R,2S)-2-(octadecoxymethyl)cyclopentan-1-ol is CCCCCCCCCCCCCCCCCCOC[C@@H]1CCC[C@H]1O.
What is the InChIKey of cis-(1R,2S)-2-(octadecoxymethyl)cyclopentan-1-ol?
The InChIKey is PBVPPSVDLBHVPY-BJKOFHAPSA-N. The full InChI is InChI=1S/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-22-23-19-18-20-24(23)25/h23-25H,2-22H2,1H3/t23-,24+/m0/s1.
What are the key properties of cis-(1R,2S)-2-(octadecoxymethyl)cyclopentan-1-ol?
cis-(1R,2S)-2-(octadecoxymethyl)cyclopentan-1-ol has a molecular weight of 368.65 g/mol, XLogP of 7.43, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(octadecoxymethyl)cyclopentan-1-ol is sourced from PubChem (CID 56971486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).