1-chloro-2-[3-(cyclodecapentaenylmethoxy)cyclodecyl]ethanol

C23H33ClO2 — CID 155130998

IUPAC1-chloro-2-[3-(cyclodecapentaenylmethoxy)cyclodecyl]ethanol
SMILESOC(Cl)CC1CCCCCCCC(OCc2ccccccccc2)C1
InChIInChI=1S/C23H33ClO2/c24-23(25)18-21-15-11-7-4-8-12-16-22(17-21)26-19-20-13-9-5-2-1-3-6-10-14-20/h1-3,5-6,9-10,13-14,21-23,25H,4,7-8,11-12,15-19H2/b2-1-,3-1-,5-2-,6-3+,9-5+,10-6+,13-9+,14-10-,20-13+,20-14+
InChIKeyRCBGCEUDMWBDKA-UUNCJIRYSA-N
MW376.97 g/mol
LogP6.39
Rot. Bonds5

About 1-chloro-2-[3-(cyclodecapentaenylmethoxy)cyclodecyl]ethanol

1-chloro-2-[3-(cyclodecapentaenylmethoxy)cyclodecyl]ethanol (PubChem CID 155130998) has the molecular formula C23H33ClO2 and a molecular weight of 376.97 g/mol. Its IUPAC name is 1-chloro-2-[3-(cyclodecapentaenylmethoxy)cyclodecyl]ethanol.

Molecular Properties

Compound Name1-chloro-2-[3-(cyclodecapentaenylmethoxy)cyclodecyl]ethanol
PubChem CID155130998
Molecular FormulaC23H33ClO2
Molecular Weight376.97 g/mol
Exact Mass376.22
IUPAC Name1-chloro-2-[3-(cyclodecapentaenylmethoxy)cyclodecyl]ethanol
SMILESOC(Cl)CC1CCCCCCCC(OCc2ccccccccc2)C1
InChIInChI=1S/C23H33ClO2/c24-23(25)18-21-15-11-7-4-8-12-16-22(17-21)26-19-20-13-9-5-2-1-3-6-10-14-20/h1-3,5-6,9-10,13-14,21-23,25H,4,7-8,11-12,15-19H2/b2-1-,3-1-,5-2-,6-3+,9-5+,10-6+,13-9+,14-10-,20-13+,20-14+
InChIKeyRCBGCEUDMWBDKA-UUNCJIRYSA-N
XLogP6.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.97
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-chloro-2-[3-(cyclodecapentaenylmethoxy)cyclodecyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azane;cyclopentyloxymethylbenzene
CID 69411306
trans-(1R,3R)-3-phenylmethoxycyclohexan-1-ol
CID 14172790
3-(3-phenylmethoxycyclohexyl)propanoic acid
CID 115049002
3-[(1R,3S)-3-phenylmethoxycyclohexyl]oxypropane-1,2-diol
CID 59659244
benzyl (3R)-3-phenylmethoxycyclohexane-1-carboxylate
CID 59011020
3-phenylmethoxycyclopentan-1-amine
CID 79421215
benzyl (2S)-5-amino-2-(cyclohexylmethyl)-3-hydroxypent-4-enoate
CID 70043914
(3-chlorocyclobutyl)oxymethylbenzene
CID 66344030
tribenzyl cyclohexyl silicate
CID 140793661
cyclohexyl(phenylmethoxy)methanol
CID 54334195
(3-phenylmethoxycyclopentanecarbonyl) 3-phenylmethoxycyclopentane-1-carboxylate
CID 141325822
(1R,2R,5S)-2-chloro-5-phenylmethoxycyclohexan-1-amine
CID 10354246

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[3-(cyclodecapentaenylmethoxy)cyclodecyl]ethanol?
The IUPAC name of 1-chloro-2-[3-(cyclodecapentaenylmethoxy)cyclodecyl]ethanol (CID 155130998) is 1-chloro-2-[3-(cyclodecapentaenylmethoxy)cyclodecyl]ethanol.
What is the SMILES notation for 1-chloro-2-[3-(cyclodecapentaenylmethoxy)cyclodecyl]ethanol?
The canonical SMILES for 1-chloro-2-[3-(cyclodecapentaenylmethoxy)cyclodecyl]ethanol is OC(Cl)CC1CCCCCCCC(OCc2ccccccccc2)C1.
What is the InChIKey of 1-chloro-2-[3-(cyclodecapentaenylmethoxy)cyclodecyl]ethanol?
The InChIKey is RCBGCEUDMWBDKA-UUNCJIRYSA-N. The full InChI is InChI=1S/C23H33ClO2/c24-23(25)18-21-15-11-7-4-8-12-16-22(17-21)26-19-20-13-9-5-2-1-3-6-10-14-20/h1-3,5-6,9-10,13-14,21-23,25H,4,7-8,11-12,15-19H2/b2-1-,3-1-,5-2-,6-3+,9-5+,10-6+,13-9+,14-10-,20-13+,20-14+.
What are the key properties of 1-chloro-2-[3-(cyclodecapentaenylmethoxy)cyclodecyl]ethanol?
1-chloro-2-[3-(cyclodecapentaenylmethoxy)cyclodecyl]ethanol has a molecular weight of 376.97 g/mol, XLogP of 6.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[3-(cyclodecapentaenylmethoxy)cyclodecyl]ethanol is sourced from PubChem (CID 155130998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).