(1S)-3-(2-methyl-1,3-dioxolan-2-yl)cyclohex-2-en-1-ol

C10H16O3 — CID 11041404

IUPAC(1S)-3-(2-methyl-1,3-dioxolan-2-yl)cyclohex-2-en-1-ol
SMILESCC1(C2=C[C@@H](O)CCC2)OCCO1
InChIInChI=1S/C10H16O3/c1-10(12-5-6-13-10)8-3-2-4-9(11)7-8/h7,9,11H,2-6H2,1H3/t9-/m0/s1
InChIKeyWVMDQMYDYDVRNM-VIFPVBQESA-N
MW184.23 g/mol
LogP1.22
Rot. Bonds1

About (1S)-3-(2-methyl-1,3-dioxolan-2-yl)cyclohex-2-en-1-ol

(1S)-3-(2-methyl-1,3-dioxolan-2-yl)cyclohex-2-en-1-ol (PubChem CID 11041404) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (1S)-3-(2-methyl-1,3-dioxolan-2-yl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1S)-3-(2-methyl-1,3-dioxolan-2-yl)cyclohex-2-en-1-ol
PubChem CID11041404
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(1S)-3-(2-methyl-1,3-dioxolan-2-yl)cyclohex-2-en-1-ol
SMILESCC1(C2=C[C@@H](O)CCC2)OCCO1
InChIInChI=1S/C10H16O3/c1-10(12-5-6-13-10)8-3-2-4-9(11)7-8/h7,9,11H,2-6H2,1H3/t9-/m0/s1
InChIKeyWVMDQMYDYDVRNM-VIFPVBQESA-N
XLogP1.22
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.22
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

7-Methyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 11137430
(3aS,4R,5R,7aR)-2,2,7-trimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol
CID 11063444
2-(1,4-Dioxaspiro[4.5]dec-6-en-6-yl)propan-2-ol
CID 101702211
3,5,5-Trimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethenyl]cyclohex-2-en-1-ol
CID 70371690
(3aS,4R,5S,7aR)-2,2,7-trimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol
CID 134845908
2-Fluoro-5-methyl-4-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclohex-2-en-1-ol
CID 163598342
Ethanol, 2-(1,4-dioxaspiro[4.5]dec-8-ylidene)-
CID 10976162
7,9,9-Trimethyl-8-propyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol
CID 14759594
(3aR,4R,5S,7aR)-4-iodo-2,2,7-trimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-5-ol
CID 12000317
1-[(3aR,7aS)-2,2,7-trimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]-5-methylhex-4-en-3-ol
CID 45113841
(1R,4S)-2-[2-(1,3-dioxolan-2-yl)ethyl]cyclohex-2-ene-1,4-diol
CID 56654609
(E,2S)-4-[(4S,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]but-3-en-2-ol
CID 71814732

Frequently Asked Questions

What is the IUPAC name of (1S)-3-(2-methyl-1,3-dioxolan-2-yl)cyclohex-2-en-1-ol?
The IUPAC name of (1S)-3-(2-methyl-1,3-dioxolan-2-yl)cyclohex-2-en-1-ol (CID 11041404) is (1S)-3-(2-methyl-1,3-dioxolan-2-yl)cyclohex-2-en-1-ol.
What is the SMILES notation for (1S)-3-(2-methyl-1,3-dioxolan-2-yl)cyclohex-2-en-1-ol?
The canonical SMILES for (1S)-3-(2-methyl-1,3-dioxolan-2-yl)cyclohex-2-en-1-ol is CC1(C2=C[C@@H](O)CCC2)OCCO1.
What is the InChIKey of (1S)-3-(2-methyl-1,3-dioxolan-2-yl)cyclohex-2-en-1-ol?
The InChIKey is WVMDQMYDYDVRNM-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16O3/c1-10(12-5-6-13-10)8-3-2-4-9(11)7-8/h7,9,11H,2-6H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-3-(2-methyl-1,3-dioxolan-2-yl)cyclohex-2-en-1-ol?
(1S)-3-(2-methyl-1,3-dioxolan-2-yl)cyclohex-2-en-1-ol has a molecular weight of 184.23 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-(2-methyl-1,3-dioxolan-2-yl)cyclohex-2-en-1-ol is sourced from PubChem (CID 11041404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).