(1S,3E)-3-[(2Z)-2-[(3R,5S)-3-(4-hydroxy-4-methylpentyl)spiro[4.5]decan-9-ylidene]ethylidene]cyclohexan-1-ol

C24H40O2 — CID 143238724

IUPAC(1S,3E)-3-[(2Z)-2-[(3R,5S)-3-(4-hydroxy-4-methylpentyl)spiro[4.5]decan-9-ylidene]ethylidene]cyclohexan-1-ol
SMILESCC(C)(O)CCC[C@@H]1CC[C@@]2(CCC/C(=C/C=C3\CCC[C@H](O)C3)C2)C1
InChIInChI=1S/C24H40O2/c1-23(2,26)13-4-7-21-12-15-24(18-21)14-5-8-20(17-24)11-10-19-6-3-9-22(25)16-19/h10-11,21-22,25-26H,3-9,12-18H2,1-2H3/b19-10+,20-11-/t21-,22+,24-/m1/s1
InChIKeyQIUBOTBSUXNURW-WOQSZHDHSA-N
MW360.58 g/mol
LogP6.08
Rot. Bonds5

About (1S,3E)-3-[(2Z)-2-[(3R,5S)-3-(4-hydroxy-4-methylpentyl)spiro[4.5]decan-9-ylidene]ethylidene]cyclohexan-1-ol

(1S,3E)-3-[(2Z)-2-[(3R,5S)-3-(4-hydroxy-4-methylpentyl)spiro[4.5]decan-9-ylidene]ethylidene]cyclohexan-1-ol (PubChem CID 143238724) has the molecular formula C24H40O2 and a molecular weight of 360.58 g/mol. Its IUPAC name is (1S,3E)-3-[(2Z)-2-[(3R,5S)-3-(4-hydroxy-4-methylpentyl)spiro[4.5]decan-9-ylidene]ethylidene]cyclohexan-1-ol.

Molecular Properties

Compound Name(1S,3E)-3-[(2Z)-2-[(3R,5S)-3-(4-hydroxy-4-methylpentyl)spiro[4.5]decan-9-ylidene]ethylidene]cyclohexan-1-ol
PubChem CID143238724
Molecular FormulaC24H40O2
Molecular Weight360.58 g/mol
Exact Mass360.30
IUPAC Name(1S,3E)-3-[(2Z)-2-[(3R,5S)-3-(4-hydroxy-4-methylpentyl)spiro[4.5]decan-9-ylidene]ethylidene]cyclohexan-1-ol
SMILESCC(C)(O)CCC[C@@H]1CC[C@@]2(CCC/C(=C/C=C3\CCC[C@H](O)C3)C2)C1
InChIInChI=1S/C24H40O2/c1-23(2,26)13-4-7-21-12-15-24(18-21)14-5-8-20(17-24)11-10-19-6-3-9-22(25)16-19/h10-11,21-22,25-26H,3-9,12-18H2,1-2H3/b19-10+,20-11-/t21-,22+,24-/m1/s1
InChIKeyQIUBOTBSUXNURW-WOQSZHDHSA-N
XLogP6.08
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.58
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,3E)-3-[(2Z)-2-[(3R,5S)-3-(4-hydroxy-4-methylpentyl)spiro[4.5]decan-9-ylidene]ethylidene]cyclohexan-1-ol with MolForge

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Related Compounds

trans-(1R,3R)-5-[(2Z)-2-[(3S,5R)-3-(4-hydroxy-4-methylpentyl)spiro[4.5]decan-9-ylidene]ethylidene]cyclohexane-1,3-diol
CID 58687881
(3E)-3-[(2Z)-2-[3-(3-hydroxy-3-methylbutoxy)spiro[5.5]undecan-10-ylidene]ethylidene]cyclohexan-1-ol
CID 143238769
6-[(4E)-4-[(2Z)-2-(3-hydroxycyclohexylidene)ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,6,10-trimethylundecane-2,10-diol
CID 143298720
(3E)-3-[(2Z)-2-[(3S)-3-(2-ethyl-6-hydroxy-6-methylheptyl)cyclohexylidene]ethylidene]cyclohexan-1-ol
CID 143238665
trans-(1R,3R)-5-[(2Z)-2-[3-(2-hydroxy-2-methylpropoxy)spiro[5.5]undecan-10-ylidene]ethylidene]cyclohexane-1,3-diol
CID 143238762
[5-[(3S,5S,9Z)-9-[2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]ethylidene]spiro[4.5]decan-3-yl]-2-methylpentan-2-yl]oxy-trimethylsilane
CID 58687890
5-[(3R,5R)-8,11-dioxadispiro[4.1.47.35]tetradecan-3-yl]-2-methylpentan-2-ol;(3R,5R)-3-(4-hydroxy-4-methylpentyl)spiro[4.5]decan-9-one
CID 159447764
5-[(3R,5S)-8,11-dioxadispiro[4.1.47.35]tetradecan-3-yl]-2-methylpentan-2-ol;(3R,5S)-3-(4-hydroxy-4-methylpentyl)spiro[4.5]decan-9-one
CID 159447763
trans-(1R,3R)-5-[(2E)-2-[(3R,5S)-3-[(E)-7-hydroxy-7-methyloct-4-en-2-yl]spiro[4.5]decan-9-ylidene]ethylidene]cyclohexane-1,3-diol
CID 11611414
5-[(3R,5R)-8,11-dioxadispiro[4.1.47.35]tetradecan-3-yl]-2-methylpentan-2-ol
CID 58661782
cis-(1S,3R)-5-[(2E)-2-[(3R,5S)-3-[(3Z,5E)-7-ethyl-7-hydroxynona-3,5-dien-2-yl]spiro[4.5]decan-9-ylidene]ethylidene]cyclohexane-1,3-diol
CID 11690794
cis-(1S,3R)-5-[(2E)-2-[3-[(E)-7-ethyl-7-hydroxynon-2-enoxy]spiro[5.5]undecan-10-ylidene]ethylidene]cyclohexane-1,3-diol
CID 11719840

Frequently Asked Questions

What is the IUPAC name of (1S,3E)-3-[(2Z)-2-[(3R,5S)-3-(4-hydroxy-4-methylpentyl)spiro[4.5]decan-9-ylidene]ethylidene]cyclohexan-1-ol?
The IUPAC name of (1S,3E)-3-[(2Z)-2-[(3R,5S)-3-(4-hydroxy-4-methylpentyl)spiro[4.5]decan-9-ylidene]ethylidene]cyclohexan-1-ol (CID 143238724) is (1S,3E)-3-[(2Z)-2-[(3R,5S)-3-(4-hydroxy-4-methylpentyl)spiro[4.5]decan-9-ylidene]ethylidene]cyclohexan-1-ol.
What is the SMILES notation for (1S,3E)-3-[(2Z)-2-[(3R,5S)-3-(4-hydroxy-4-methylpentyl)spiro[4.5]decan-9-ylidene]ethylidene]cyclohexan-1-ol?
The canonical SMILES for (1S,3E)-3-[(2Z)-2-[(3R,5S)-3-(4-hydroxy-4-methylpentyl)spiro[4.5]decan-9-ylidene]ethylidene]cyclohexan-1-ol is CC(C)(O)CCC[C@@H]1CC[C@@]2(CCC/C(=C/C=C3\CCC[C@H](O)C3)C2)C1.
What is the InChIKey of (1S,3E)-3-[(2Z)-2-[(3R,5S)-3-(4-hydroxy-4-methylpentyl)spiro[4.5]decan-9-ylidene]ethylidene]cyclohexan-1-ol?
The InChIKey is QIUBOTBSUXNURW-WOQSZHDHSA-N. The full InChI is InChI=1S/C24H40O2/c1-23(2,26)13-4-7-21-12-15-24(18-21)14-5-8-20(17-24)11-10-19-6-3-9-22(25)16-19/h10-11,21-22,25-26H,3-9,12-18H2,1-2H3/b19-10+,20-11-/t21-,22+,24-/m1/s1.
What are the key properties of (1S,3E)-3-[(2Z)-2-[(3R,5S)-3-(4-hydroxy-4-methylpentyl)spiro[4.5]decan-9-ylidene]ethylidene]cyclohexan-1-ol?
(1S,3E)-3-[(2Z)-2-[(3R,5S)-3-(4-hydroxy-4-methylpentyl)spiro[4.5]decan-9-ylidene]ethylidene]cyclohexan-1-ol has a molecular weight of 360.58 g/mol, XLogP of 6.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3E)-3-[(2Z)-2-[(3R,5S)-3-(4-hydroxy-4-methylpentyl)spiro[4.5]decan-9-ylidene]ethylidene]cyclohexan-1-ol is sourced from PubChem (CID 143238724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).