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

C15H24O3 — CID 58005042

IUPAC3,5,5-trimethyl-4-[(E)-2-(2-methyl-1,3-dioxolan-2-yl)ethenyl]cyclohex-2-en-1-ol
SMILESCC1=CC(O)CC(C)(C)C1/C=C/C1(C)OCCO1
InChIInChI=1S/C15H24O3/c1-11-9-12(16)10-14(2,3)13(11)5-6-15(4)17-7-8-18-15/h5-6,9,12-13,16H,7-8,10H2,1-4H3/b6-5+
InChIKeyGEICCRSWONBOLI-AATRIKPKSA-N
MW252.35 g/mol
LogP2.66
Rot. Bonds2

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

3,5,5-trimethyl-4-[(E)-2-(2-methyl-1,3-dioxolan-2-yl)ethenyl]cyclohex-2-en-1-ol (PubChem CID 58005042) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 3,5,5-trimethyl-4-[(E)-2-(2-methyl-1,3-dioxolan-2-yl)ethenyl]cyclohex-2-en-1-ol.

Molecular Properties

Compound Name3,5,5-trimethyl-4-[(E)-2-(2-methyl-1,3-dioxolan-2-yl)ethenyl]cyclohex-2-en-1-ol
PubChem CID58005042
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name3,5,5-trimethyl-4-[(E)-2-(2-methyl-1,3-dioxolan-2-yl)ethenyl]cyclohex-2-en-1-ol
SMILESCC1=CC(O)CC(C)(C)C1/C=C/C1(C)OCCO1
InChIInChI=1S/C15H24O3/c1-11-9-12(16)10-14(2,3)13(11)5-6-15(4)17-7-8-18-15/h5-6,9,12-13,16H,7-8,10H2,1-4H3/b6-5+
InChIKeyGEICCRSWONBOLI-AATRIKPKSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-2-[2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1,3-dioxolane
CID 70371688
3,5,5-Trimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethenyl]cyclohex-2-en-1-ol
CID 70371690
(2Z,4E)-5-[7-(difluoromethyl)-9,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl]-3-methylpenta-2,4-dien-1-ol
CID 22406466
5-[7-(Difluoromethyl)-9,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl]-3-methylpent-2-en-4-yn-1-ol
CID 54425319
5-[7-(Difluoromethyl)-9,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl]-3-methylpenta-2,4-dien-1-ol
CID 54469529
2,3,7,9-tetramethyl-8-[(E)-2-(tributylstannyl)vinyl]-9-(trifluoromethyl)-1,4-dioxaspiro[4.5]dec-6-en-8-ol
CID 70873452
2,3,7,9-Tetramethyl-8-(2-tributylstannylethenyl)-9-(trifluoromethyl)-1,4-dioxaspiro[4.5]dec-6-en-8-ol
CID 77935707
(E)-5-[7-(difluoromethyl)-9,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl]-3-methylpent-2-en-4-yn-1-ol
CID 88389980
2-Fluoro-5-methyl-4-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclohex-2-en-1-ol
CID 163598342
8-Ethynyl-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol
CID 11264535
7,8,9,9-Tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol
CID 14759592
8-Ethyl-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol
CID 14759593

Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethyl-4-[(E)-2-(2-methyl-1,3-dioxolan-2-yl)ethenyl]cyclohex-2-en-1-ol?
The IUPAC name of 3,5,5-trimethyl-4-[(E)-2-(2-methyl-1,3-dioxolan-2-yl)ethenyl]cyclohex-2-en-1-ol (CID 58005042) is 3,5,5-trimethyl-4-[(E)-2-(2-methyl-1,3-dioxolan-2-yl)ethenyl]cyclohex-2-en-1-ol.
What is the SMILES notation for 3,5,5-trimethyl-4-[(E)-2-(2-methyl-1,3-dioxolan-2-yl)ethenyl]cyclohex-2-en-1-ol?
The canonical SMILES for 3,5,5-trimethyl-4-[(E)-2-(2-methyl-1,3-dioxolan-2-yl)ethenyl]cyclohex-2-en-1-ol is CC1=CC(O)CC(C)(C)C1/C=C/C1(C)OCCO1.
What is the InChIKey of 3,5,5-trimethyl-4-[(E)-2-(2-methyl-1,3-dioxolan-2-yl)ethenyl]cyclohex-2-en-1-ol?
The InChIKey is GEICCRSWONBOLI-AATRIKPKSA-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/h5-6,9,12-13,16H,7-8,10H2,1-4H3/b6-5+.
What are the key properties of 3,5,5-trimethyl-4-[(E)-2-(2-methyl-1,3-dioxolan-2-yl)ethenyl]cyclohex-2-en-1-ol?
3,5,5-trimethyl-4-[(E)-2-(2-methyl-1,3-dioxolan-2-yl)ethenyl]cyclohex-2-en-1-ol has a molecular weight of 252.35 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethyl-4-[(E)-2-(2-methyl-1,3-dioxolan-2-yl)ethenyl]cyclohex-2-en-1-ol is sourced from PubChem (CID 58005042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).