(2S,4R)-4-[(1S,3R,4R)-4-(cyclohexen-1-yl)-2,2-diethyl-3-tri(propan-2-yl)silyloxycyclopentyl]oxypentan-2-ol

C29H56O3Si — CID 139253927

IUPAC(2S,4R)-4-[(1S,3R,4R)-4-(cyclohexen-1-yl)-2,2-diethyl-3-tri(propan-2-yl)silyloxycyclopentyl]oxypentan-2-ol
SMILESCCC1(CC)[C@@H](O[C@H](C)C[C@H](C)O)C[C@H](C2=CCCCC2)[C@H]1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C29H56O3Si/c1-11-29(12-2)27(31-24(10)18-23(9)30)19-26(25-16-14-13-15-17-25)28(29)32-33(20(3)4,21(5)6)22(7)8/h16,20-24,26-28,30H,11-15,17-19H2,1-10H3/t23-,24+,26+,27-,28+/m0/s1
InChIKeyWCOODTORWUJRHJ-RDOUGGHTSA-N
MW480.85 g/mol
LogP8.42
Rot. Bonds12

About (2S,4R)-4-[(1S,3R,4R)-4-(cyclohexen-1-yl)-2,2-diethyl-3-tri(propan-2-yl)silyloxycyclopentyl]oxypentan-2-ol

(2S,4R)-4-[(1S,3R,4R)-4-(cyclohexen-1-yl)-2,2-diethyl-3-tri(propan-2-yl)silyloxycyclopentyl]oxypentan-2-ol (PubChem CID 139253927) has the molecular formula C29H56O3Si and a molecular weight of 480.85 g/mol. Its IUPAC name is (2S,4R)-4-[(1S,3R,4R)-4-(cyclohexen-1-yl)-2,2-diethyl-3-tri(propan-2-yl)silyloxycyclopentyl]oxypentan-2-ol.

Molecular Properties

Compound Name(2S,4R)-4-[(1S,3R,4R)-4-(cyclohexen-1-yl)-2,2-diethyl-3-tri(propan-2-yl)silyloxycyclopentyl]oxypentan-2-ol
PubChem CID139253927
Molecular FormulaC29H56O3Si
Molecular Weight480.85 g/mol
Exact Mass480.40
IUPAC Name(2S,4R)-4-[(1S,3R,4R)-4-(cyclohexen-1-yl)-2,2-diethyl-3-tri(propan-2-yl)silyloxycyclopentyl]oxypentan-2-ol
SMILESCCC1(CC)[C@@H](O[C@H](C)C[C@H](C)O)C[C@H](C2=CCCCC2)[C@H]1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C29H56O3Si/c1-11-29(12-2)27(31-24(10)18-23(9)30)19-26(25-16-14-13-15-17-25)28(29)32-33(20(3)4,21(5)6)22(7)8/h16,20-24,26-28,30H,11-15,17-19H2,1-10H3/t23-,24+,26+,27-,28+/m0/s1
InChIKeyWCOODTORWUJRHJ-RDOUGGHTSA-N
XLogP8.42
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.85
LogP ≤ 58.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S,4R)-4-[(1S,3R,4R)-4-(cyclohexen-1-yl)-2,2-diethyl-3-tri(propan-2-yl)silyloxycyclopentyl]oxypentan-2-ol 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

2-[[(1S,7S,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-methyl-1,2,3,5,6,7-hexahydroinden-1-yl]oxy]ethyl-trimethylsilane
CID 11133057
(1S,2R,3R,3aS,6R,7S,7aR)-3-[tert-butyl(dimethyl)silyl]oxy-6-[3-[tert-butyl(dimethyl)silyl]oxybutyl]-7-ethenyl-2-methyl-2,3,3a,6,7,7a-hexahydro-1H-inden-1-ol
CID 101362169
[(1S,3S,4S)-1-methoxy-3-prop-1-en-2-ylspiro[4.5]decan-4-yl]oxy-tri(propan-2-yl)silane
CID 101809475
[(1S,3S,4S)-3-(cyclohexen-1-yl)-1-methoxyspiro[4.5]decan-4-yl]oxy-tri(propan-2-yl)silane
CID 101809478
[(1S,3S)-2,2-diethyl-3-methoxy-5-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane
CID 139253914
[(1S,3S)-5-(cyclohexen-1-yl)-3-methoxy-2,2-dimethylcyclopentyl]oxy-tri(propan-2-yl)silane
CID 139253915
[(1S,3S)-5-(cyclohexen-1-yl)-2,2-diethyl-3-methoxycyclopentyl]oxy-tri(propan-2-yl)silane
CID 139253916
(2S,4R)-4-[(1S,3S,4S)-2,2-dimethyl-4-prop-1-en-2-yl-3-tri(propan-2-yl)silyloxycyclopentyl]oxypentan-2-ol
CID 139253917
(2S,4R)-4-[(1S,3S,4S)-2,2-diethyl-4-prop-1-en-2-yl-3-tri(propan-2-yl)silyloxycyclopentyl]oxypentan-2-ol
CID 139253918
(2S,4R)-4-[(1S,3S,4S)-3-prop-1-en-2-yl-4-tri(propan-2-yl)silyloxyspiro[4.5]decan-1-yl]oxypentan-2-ol
CID 139253919
(2S,4R)-4-[(1S,3S,4S)-4-(cyclohexen-1-yl)-2,2-dimethyl-3-tri(propan-2-yl)silyloxycyclopentyl]oxypentan-2-ol
CID 139253920
(2S,4R)-4-[(1S,3S,4S)-4-(cyclohexen-1-yl)-2,2-diethyl-3-tri(propan-2-yl)silyloxycyclopentyl]oxypentan-2-ol
CID 139253921

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-[(1S,3R,4R)-4-(cyclohexen-1-yl)-2,2-diethyl-3-tri(propan-2-yl)silyloxycyclopentyl]oxypentan-2-ol?
The IUPAC name of (2S,4R)-4-[(1S,3R,4R)-4-(cyclohexen-1-yl)-2,2-diethyl-3-tri(propan-2-yl)silyloxycyclopentyl]oxypentan-2-ol (CID 139253927) is (2S,4R)-4-[(1S,3R,4R)-4-(cyclohexen-1-yl)-2,2-diethyl-3-tri(propan-2-yl)silyloxycyclopentyl]oxypentan-2-ol.
What is the SMILES notation for (2S,4R)-4-[(1S,3R,4R)-4-(cyclohexen-1-yl)-2,2-diethyl-3-tri(propan-2-yl)silyloxycyclopentyl]oxypentan-2-ol?
The canonical SMILES for (2S,4R)-4-[(1S,3R,4R)-4-(cyclohexen-1-yl)-2,2-diethyl-3-tri(propan-2-yl)silyloxycyclopentyl]oxypentan-2-ol is CCC1(CC)[C@@H](O[C@H](C)C[C@H](C)O)C[C@H](C2=CCCCC2)[C@H]1O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (2S,4R)-4-[(1S,3R,4R)-4-(cyclohexen-1-yl)-2,2-diethyl-3-tri(propan-2-yl)silyloxycyclopentyl]oxypentan-2-ol?
The InChIKey is WCOODTORWUJRHJ-RDOUGGHTSA-N. The full InChI is InChI=1S/C29H56O3Si/c1-11-29(12-2)27(31-24(10)18-23(9)30)19-26(25-16-14-13-15-17-25)28(29)32-33(20(3)4,21(5)6)22(7)8/h16,20-24,26-28,30H,11-15,17-19H2,1-10H3/t23-,24+,26+,27-,28+/m0/s1.
What are the key properties of (2S,4R)-4-[(1S,3R,4R)-4-(cyclohexen-1-yl)-2,2-diethyl-3-tri(propan-2-yl)silyloxycyclopentyl]oxypentan-2-ol?
(2S,4R)-4-[(1S,3R,4R)-4-(cyclohexen-1-yl)-2,2-diethyl-3-tri(propan-2-yl)silyloxycyclopentyl]oxypentan-2-ol has a molecular weight of 480.85 g/mol, XLogP of 8.42, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-[(1S,3R,4R)-4-(cyclohexen-1-yl)-2,2-diethyl-3-tri(propan-2-yl)silyloxycyclopentyl]oxypentan-2-ol is sourced from PubChem (CID 139253927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).