(1R)-3,5,5-trimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethenyl]cyclohex-3-en-1-ol

C15H24O3 — CID 91442865

IUPAC(1R)-3,5,5-trimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethenyl]cyclohex-3-en-1-ol
SMILESCC1=C(C=CC2(C)OCCO2)C(C)(C)C[C@H](O)C1
InChIInChI=1S/C15H24O3/c1-11-9-12(16)10-14(2,3)13(11)5-6-15(4)17-7-8-18-15/h5-6,12,16H,7-10H2,1-4H3/t12-/m1/s1
InChIKeyBJYHHNGXAVKJGT-GFCCVEGCSA-N
MW252.35 g/mol
LogP2.80
Rot. Bonds2

About (1R)-3,5,5-trimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethenyl]cyclohex-3-en-1-ol

(1R)-3,5,5-trimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethenyl]cyclohex-3-en-1-ol (PubChem CID 91442865) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (1R)-3,5,5-trimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethenyl]cyclohex-3-en-1-ol.

Molecular Properties

Compound Name(1R)-3,5,5-trimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethenyl]cyclohex-3-en-1-ol
PubChem CID91442865
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(1R)-3,5,5-trimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethenyl]cyclohex-3-en-1-ol
SMILESCC1=C(C=CC2(C)OCCO2)C(C)(C)C[C@H](O)C1
InChIInChI=1S/C15H24O3/c1-11-9-12(16)10-14(2,3)13(11)5-6-15(4)17-7-8-18-15/h5-6,12,16H,7-10H2,1-4H3/t12-/m1/s1
InChIKeyBJYHHNGXAVKJGT-GFCCVEGCSA-N
XLogP2.80
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-3,5,5-trimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethenyl]cyclohex-3-en-1-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

3,5,5-Trimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethenyl]cyclohex-2-en-1-ol
CID 70371690
(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E,23S)-24-hydroxy-3,7,12,16,20,24-hexamethyl-23-[(2R,3S,4S,5S)-3,4,5-trimethoxyoxolan-2-yl]oxypentacosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol
CID 163017209
(2S,3S,8S)-8-[(1E,3Z)-5-hydroxy-3-methylpenta-1,3-dienyl]-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol
CID 23255985
(8-Ethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)methanol
CID 130124194
1,3-Dioxolane, 2-methyl-2-[2-(2,6,6-trimethyl-3-methylene-1-cyclohexen-1-yl)ethenyl]-
CID 616186
2-Methyl-2-[(1E,3E,5E)-4-methyl-6-(2,6,6-trimethyl-1-cyclohexenyl)-1,3,5-hexatrienyl]-1,3-dioxolane
CID 5368079
2-Methyl-2-[2-(2,6,6-trimethyl-cyclohex-1-enyl)-vinyl]-[1,3]dioxolane
CID 5376311
2-Methyl-2-[2-(2,6,6-trimethyl-3-methylene-cyclohex-1-enyl)-vinyl]-[1,3]dioxolane
CID 5376765
2,2,4-trimethyl-3-[(E)-2-(2-methyl-1,3-dioxolan-2-yl)ethenyl]cyclohex-3-en-1-ol
CID 21591465
1-(1,4-Dioxaspiro[4.5]dec-6-en-6-yl)-2,2-dimethylpropan-1-ol
CID 101702210
1-(1,4-Dioxaspiro[4.5]dec-6-en-7-yl)-2,2-dimethylpropan-1-ol
CID 101702215
CID 10775933
CID 10775933

Frequently Asked Questions

What is the IUPAC name of (1R)-3,5,5-trimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethenyl]cyclohex-3-en-1-ol?
The IUPAC name of (1R)-3,5,5-trimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethenyl]cyclohex-3-en-1-ol (CID 91442865) is (1R)-3,5,5-trimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethenyl]cyclohex-3-en-1-ol.
What is the SMILES notation for (1R)-3,5,5-trimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethenyl]cyclohex-3-en-1-ol?
The canonical SMILES for (1R)-3,5,5-trimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethenyl]cyclohex-3-en-1-ol is CC1=C(C=CC2(C)OCCO2)C(C)(C)C[C@H](O)C1.
What is the InChIKey of (1R)-3,5,5-trimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethenyl]cyclohex-3-en-1-ol?
The InChIKey is BJYHHNGXAVKJGT-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H24O3/c1-11-9-12(16)10-14(2,3)13(11)5-6-15(4)17-7-8-18-15/h5-6,12,16H,7-10H2,1-4H3/t12-/m1/s1.
What are the key properties of (1R)-3,5,5-trimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethenyl]cyclohex-3-en-1-ol?
(1R)-3,5,5-trimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethenyl]cyclohex-3-en-1-ol has a molecular weight of 252.35 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3,5,5-trimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethenyl]cyclohex-3-en-1-ol is sourced from PubChem (CID 91442865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).