[(1S)-2-[(2R,3R,8R)-2,3,6,6,8-pentamethyl-1,4-dioxaspiro[4.5]decan-8-yl]-1-propylcyclohex-2-en-1-yl]methanol

C23H40O3 — CID 70891024

IUPAC[(1S)-2-[(2R,3R,8R)-2,3,6,6,8-pentamethyl-1,4-dioxaspiro[4.5]decan-8-yl]-1-propylcyclohex-2-en-1-yl]methanol
SMILESCCC[C@]1(CO)CCCC=C1[C@]1(C)CCC2(O[C@H](C)[C@@H](C)O2)C(C)(C)C1
InChIInChI=1S/C23H40O3/c1-7-11-22(16-24)12-9-8-10-19(22)21(6)13-14-23(20(4,5)15-21)25-17(2)18(3)26-23/h10,17-18,24H,7-9,11-16H2,1-6H3/t17-,18-,21-,22-/m1/s1
InChIKeyIXXPWQJWNOMGHY-MCEIDBOGSA-N
MW364.57 g/mol
LogP5.61
Rot. Bonds4

About [(1S)-2-[(2R,3R,8R)-2,3,6,6,8-pentamethyl-1,4-dioxaspiro[4.5]decan-8-yl]-1-propylcyclohex-2-en-1-yl]methanol

[(1S)-2-[(2R,3R,8R)-2,3,6,6,8-pentamethyl-1,4-dioxaspiro[4.5]decan-8-yl]-1-propylcyclohex-2-en-1-yl]methanol (PubChem CID 70891024) has the molecular formula C23H40O3 and a molecular weight of 364.57 g/mol. Its IUPAC name is [(1S)-2-[(2R,3R,8R)-2,3,6,6,8-pentamethyl-1,4-dioxaspiro[4.5]decan-8-yl]-1-propylcyclohex-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1S)-2-[(2R,3R,8R)-2,3,6,6,8-pentamethyl-1,4-dioxaspiro[4.5]decan-8-yl]-1-propylcyclohex-2-en-1-yl]methanol
PubChem CID70891024
Molecular FormulaC23H40O3
Molecular Weight364.57 g/mol
Exact Mass364.30
IUPAC Name[(1S)-2-[(2R,3R,8R)-2,3,6,6,8-pentamethyl-1,4-dioxaspiro[4.5]decan-8-yl]-1-propylcyclohex-2-en-1-yl]methanol
SMILESCCC[C@]1(CO)CCCC=C1[C@]1(C)CCC2(O[C@H](C)[C@@H](C)O2)C(C)(C)C1
InChIInChI=1S/C23H40O3/c1-7-11-22(16-24)12-9-8-10-19(22)21(6)13-14-23(20(4,5)15-21)25-17(2)18(3)26-23/h10,17-18,24H,7-9,11-16H2,1-6H3/t17-,18-,21-,22-/m1/s1
InChIKeyIXXPWQJWNOMGHY-MCEIDBOGSA-N
XLogP5.61
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.57
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(1S)-2-[(2R,3R,8R)-2,3,6,6,8-pentamethyl-1,4-dioxaspiro[4.5]decan-8-yl]-1-propylcyclohex-2-en-1-yl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-[(2R,3R,8R)-2,3,6,6,8-pentamethyl-1,4-dioxaspiro[4.5]decan-8-yl]-1-propylcyclohex-2-en-1-yl]methanol?
The IUPAC name of [(1S)-2-[(2R,3R,8R)-2,3,6,6,8-pentamethyl-1,4-dioxaspiro[4.5]decan-8-yl]-1-propylcyclohex-2-en-1-yl]methanol (CID 70891024) is [(1S)-2-[(2R,3R,8R)-2,3,6,6,8-pentamethyl-1,4-dioxaspiro[4.5]decan-8-yl]-1-propylcyclohex-2-en-1-yl]methanol.
What is the SMILES notation for [(1S)-2-[(2R,3R,8R)-2,3,6,6,8-pentamethyl-1,4-dioxaspiro[4.5]decan-8-yl]-1-propylcyclohex-2-en-1-yl]methanol?
The canonical SMILES for [(1S)-2-[(2R,3R,8R)-2,3,6,6,8-pentamethyl-1,4-dioxaspiro[4.5]decan-8-yl]-1-propylcyclohex-2-en-1-yl]methanol is CCC[C@]1(CO)CCCC=C1[C@]1(C)CCC2(O[C@H](C)[C@@H](C)O2)C(C)(C)C1.
What is the InChIKey of [(1S)-2-[(2R,3R,8R)-2,3,6,6,8-pentamethyl-1,4-dioxaspiro[4.5]decan-8-yl]-1-propylcyclohex-2-en-1-yl]methanol?
The InChIKey is IXXPWQJWNOMGHY-MCEIDBOGSA-N. The full InChI is InChI=1S/C23H40O3/c1-7-11-22(16-24)12-9-8-10-19(22)21(6)13-14-23(20(4,5)15-21)25-17(2)18(3)26-23/h10,17-18,24H,7-9,11-16H2,1-6H3/t17-,18-,21-,22-/m1/s1.
What are the key properties of [(1S)-2-[(2R,3R,8R)-2,3,6,6,8-pentamethyl-1,4-dioxaspiro[4.5]decan-8-yl]-1-propylcyclohex-2-en-1-yl]methanol?
[(1S)-2-[(2R,3R,8R)-2,3,6,6,8-pentamethyl-1,4-dioxaspiro[4.5]decan-8-yl]-1-propylcyclohex-2-en-1-yl]methanol has a molecular weight of 364.57 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-[(2R,3R,8R)-2,3,6,6,8-pentamethyl-1,4-dioxaspiro[4.5]decan-8-yl]-1-propylcyclohex-2-en-1-yl]methanol is sourced from PubChem (CID 70891024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).