(2S,4R)-4-[(1S,3S,4S)-3-(cyclohexen-1-yl)-4-tri(propan-2-yl)silyloxyspiro[4.5]decan-1-yl]oxypentan-2-ol

C30H56O3Si — CID 139253922

IUPAC(2S,4R)-4-[(1S,3S,4S)-3-(cyclohexen-1-yl)-4-tri(propan-2-yl)silyloxyspiro[4.5]decan-1-yl]oxypentan-2-ol
SMILESCC(C)[Si](O[C@H]1[C@H](C2=CCCCC2)C[C@H](O[C@H](C)C[C@H](C)O)C12CCCCC2)(C(C)C)C(C)C
InChIInChI=1S/C30H56O3Si/c1-21(2)34(22(3)4,23(5)6)33-29-27(26-15-11-9-12-16-26)20-28(32-25(8)19-24(7)31)30(29)17-13-10-14-18-30/h15,21-25,27-29,31H,9-14,16-20H2,1-8H3/t24-,25+,27-,28-,29-/m0/s1
InChIKeyBERXCWXPBOWODH-FWUMCPGESA-N
MW492.86 g/mol
LogP8.56
Rot. Bonds10

About (2S,4R)-4-[(1S,3S,4S)-3-(cyclohexen-1-yl)-4-tri(propan-2-yl)silyloxyspiro[4.5]decan-1-yl]oxypentan-2-ol

(2S,4R)-4-[(1S,3S,4S)-3-(cyclohexen-1-yl)-4-tri(propan-2-yl)silyloxyspiro[4.5]decan-1-yl]oxypentan-2-ol (PubChem CID 139253922) has the molecular formula C30H56O3Si and a molecular weight of 492.86 g/mol. Its IUPAC name is (2S,4R)-4-[(1S,3S,4S)-3-(cyclohexen-1-yl)-4-tri(propan-2-yl)silyloxyspiro[4.5]decan-1-yl]oxypentan-2-ol.

Molecular Properties

Compound Name(2S,4R)-4-[(1S,3S,4S)-3-(cyclohexen-1-yl)-4-tri(propan-2-yl)silyloxyspiro[4.5]decan-1-yl]oxypentan-2-ol
PubChem CID139253922
Molecular FormulaC30H56O3Si
Molecular Weight492.86 g/mol
Exact Mass492.40
IUPAC Name(2S,4R)-4-[(1S,3S,4S)-3-(cyclohexen-1-yl)-4-tri(propan-2-yl)silyloxyspiro[4.5]decan-1-yl]oxypentan-2-ol
SMILESCC(C)[Si](O[C@H]1[C@H](C2=CCCCC2)C[C@H](O[C@H](C)C[C@H](C)O)C12CCCCC2)(C(C)C)C(C)C
InChIInChI=1S/C30H56O3Si/c1-21(2)34(22(3)4,23(5)6)33-29-27(26-15-11-9-12-16-26)20-28(32-25(8)19-24(7)31)30(29)17-13-10-14-18-30/h15,21-25,27-29,31H,9-14,16-20H2,1-8H3/t24-,25+,27-,28-,29-/m0/s1
InChIKeyBERXCWXPBOWODH-FWUMCPGESA-N
XLogP8.56
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.86
LogP ≤ 58.56
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'}

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Related Compounds

[(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)-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
(2S,4R)-4-[(1S,3R,4R)-2,2-dimethyl-4-prop-1-en-2-yl-3-tri(propan-2-yl)silyloxycyclopentyl]oxypentan-2-ol
CID 139253923
(2S,4R)-4-[(1S,3R,4R)-2,2-diethyl-4-prop-1-en-2-yl-3-tri(propan-2-yl)silyloxycyclopentyl]oxypentan-2-ol
CID 139253924
(2S,4R)-4-[(1S,4R)-3-prop-1-en-2-yl-4-tri(propan-2-yl)silyloxyspiro[4.5]decan-1-yl]oxypentan-2-ol
CID 139253925

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-[(1S,3S,4S)-3-(cyclohexen-1-yl)-4-tri(propan-2-yl)silyloxyspiro[4.5]decan-1-yl]oxypentan-2-ol?
The IUPAC name of (2S,4R)-4-[(1S,3S,4S)-3-(cyclohexen-1-yl)-4-tri(propan-2-yl)silyloxyspiro[4.5]decan-1-yl]oxypentan-2-ol (CID 139253922) is (2S,4R)-4-[(1S,3S,4S)-3-(cyclohexen-1-yl)-4-tri(propan-2-yl)silyloxyspiro[4.5]decan-1-yl]oxypentan-2-ol.
What is the SMILES notation for (2S,4R)-4-[(1S,3S,4S)-3-(cyclohexen-1-yl)-4-tri(propan-2-yl)silyloxyspiro[4.5]decan-1-yl]oxypentan-2-ol?
The canonical SMILES for (2S,4R)-4-[(1S,3S,4S)-3-(cyclohexen-1-yl)-4-tri(propan-2-yl)silyloxyspiro[4.5]decan-1-yl]oxypentan-2-ol is CC(C)[Si](O[C@H]1[C@H](C2=CCCCC2)C[C@H](O[C@H](C)C[C@H](C)O)C12CCCCC2)(C(C)C)C(C)C.
What is the InChIKey of (2S,4R)-4-[(1S,3S,4S)-3-(cyclohexen-1-yl)-4-tri(propan-2-yl)silyloxyspiro[4.5]decan-1-yl]oxypentan-2-ol?
The InChIKey is BERXCWXPBOWODH-FWUMCPGESA-N. The full InChI is InChI=1S/C30H56O3Si/c1-21(2)34(22(3)4,23(5)6)33-29-27(26-15-11-9-12-16-26)20-28(32-25(8)19-24(7)31)30(29)17-13-10-14-18-30/h15,21-25,27-29,31H,9-14,16-20H2,1-8H3/t24-,25+,27-,28-,29-/m0/s1.
What are the key properties of (2S,4R)-4-[(1S,3S,4S)-3-(cyclohexen-1-yl)-4-tri(propan-2-yl)silyloxyspiro[4.5]decan-1-yl]oxypentan-2-ol?
(2S,4R)-4-[(1S,3S,4S)-3-(cyclohexen-1-yl)-4-tri(propan-2-yl)silyloxyspiro[4.5]decan-1-yl]oxypentan-2-ol has a molecular weight of 492.86 g/mol, XLogP of 8.56, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-[(1S,3S,4S)-3-(cyclohexen-1-yl)-4-tri(propan-2-yl)silyloxyspiro[4.5]decan-1-yl]oxypentan-2-ol is sourced from PubChem (CID 139253922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).