(2Z)-2-[(6S)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylcyclohex-3-en-1-ylidene]ethanol

C14H22O3 — CID 11107412

IUPAC(2Z)-2-[(6S)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylcyclohex-3-en-1-ylidene]ethanol
SMILESCC1=CC/C(=C/CO)[C@@H]([C@H]2COC(C)(C)O2)C1
InChIInChI=1S/C14H22O3/c1-10-4-5-11(6-7-15)12(8-10)13-9-16-14(2,3)17-13/h4,6,12-13,15H,5,7-9H2,1-3H3/b11-6-/t12-,13+/m0/s1
InChIKeyKNTLREBSBMNUMV-BLJGWETHSA-N
MW238.33 g/mol
LogP2.41
Rot. Bonds2

About (2Z)-2-[(6S)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylcyclohex-3-en-1-ylidene]ethanol

(2Z)-2-[(6S)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylcyclohex-3-en-1-ylidene]ethanol (PubChem CID 11107412) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is (2Z)-2-[(6S)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylcyclohex-3-en-1-ylidene]ethanol.

Molecular Properties

Compound Name(2Z)-2-[(6S)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylcyclohex-3-en-1-ylidene]ethanol
PubChem CID11107412
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name(2Z)-2-[(6S)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylcyclohex-3-en-1-ylidene]ethanol
SMILESCC1=CC/C(=C/CO)[C@@H]([C@H]2COC(C)(C)O2)C1
InChIInChI=1S/C14H22O3/c1-10-4-5-11(6-7-15)12(8-10)13-9-16-14(2,3)17-13/h4,6,12-13,15H,5,7-9H2,1-3H3/b11-6-/t12-,13+/m0/s1
InChIKeyKNTLREBSBMNUMV-BLJGWETHSA-N
XLogP2.41
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2Z)-2-[(6S)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylcyclohex-3-en-1-ylidene]ethanol with MolForge

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Launch Full Analysis

Related Compounds

(5E,10E)-2,6,10-trimethyl-13-(2-methyl-1,3-dioxolan-2-yl)trideca-5,10-dien-4-ol
CID 49797963
3,5,5-Trimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethenyl]cyclohex-2-en-1-ol
CID 70371690
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
(E,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-2-en-1-ol
CID 12164130
(E,4R,5R)-2,4-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)hex-2-ene-1,5-diol
CID 46849798
(3aS,4R,7R,7aR)-2,2-dimethyl-7-[(E)-1-trimethylsilylprop-1-en-2-yl]-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-ol
CID 102036846
(2S)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,6-dimethyloct-6-en-1-ol
CID 123276701
7,8-Dimethyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 131852235
(8-Methyl-1,4-dioxaspiro[4.5]dec-8-en-6-yl)methanol
CID 134906254
(2Z)-2-[6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylcyclohex-3-en-1-ylidene]ethanol
CID 135042599
(E,1R)-3-cyclopentyl-1-[(2S,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]but-2-en-1-ol
CID 139258199

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(6S)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylcyclohex-3-en-1-ylidene]ethanol?
The IUPAC name of (2Z)-2-[(6S)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylcyclohex-3-en-1-ylidene]ethanol (CID 11107412) is (2Z)-2-[(6S)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylcyclohex-3-en-1-ylidene]ethanol.
What is the SMILES notation for (2Z)-2-[(6S)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylcyclohex-3-en-1-ylidene]ethanol?
The canonical SMILES for (2Z)-2-[(6S)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylcyclohex-3-en-1-ylidene]ethanol is CC1=CC/C(=C/CO)[C@@H]([C@H]2COC(C)(C)O2)C1.
What is the InChIKey of (2Z)-2-[(6S)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylcyclohex-3-en-1-ylidene]ethanol?
The InChIKey is KNTLREBSBMNUMV-BLJGWETHSA-N. The full InChI is InChI=1S/C14H22O3/c1-10-4-5-11(6-7-15)12(8-10)13-9-16-14(2,3)17-13/h4,6,12-13,15H,5,7-9H2,1-3H3/b11-6-/t12-,13+/m0/s1.
What are the key properties of (2Z)-2-[(6S)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylcyclohex-3-en-1-ylidene]ethanol?
(2Z)-2-[(6S)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylcyclohex-3-en-1-ylidene]ethanol has a molecular weight of 238.33 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(6S)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylcyclohex-3-en-1-ylidene]ethanol is sourced from PubChem (CID 11107412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).