(E)-3-methyl-5-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)pent-2-en-1-ol

C13H24O3 — CID 11042492

IUPAC(E)-3-methyl-5-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)pent-2-en-1-ol
SMILESC/C(=C\CO)CCC1OC(C)(C)OC1(C)C
InChIInChI=1S/C13H24O3/c1-10(8-9-14)6-7-11-12(2,3)16-13(4,5)15-11/h8,11,14H,6-7,9H2,1-5H3/b10-8+
InChIKeyLIDVLVSPTPJSLW-CSKARUKUSA-N
MW228.33 g/mol
LogP2.64
Rot. Bonds4

About (E)-3-methyl-5-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)pent-2-en-1-ol

(E)-3-methyl-5-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)pent-2-en-1-ol (PubChem CID 11042492) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is (E)-3-methyl-5-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)pent-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-methyl-5-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)pent-2-en-1-ol
PubChem CID11042492
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name(E)-3-methyl-5-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)pent-2-en-1-ol
SMILESC/C(=C\CO)CCC1OC(C)(C)OC1(C)C
InChIInChI=1S/C13H24O3/c1-10(8-9-14)6-7-11-12(2,3)16-13(4,5)15-11/h8,11,14H,6-7,9H2,1-5H3/b10-8+
InChIKeyLIDVLVSPTPJSLW-CSKARUKUSA-N
XLogP2.64
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.64
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

(E)-3-(Tetrahydro-5,5-dimethyl-2-furanyl)-2-buten-1-ol
CID 131751871
(5E,10E)-2,6,10-trimethyl-13-(2-methyl-1,3-dioxolan-2-yl)trideca-5,10-dien-4-ol
CID 49797963
(3R,5R)-5-[(E)-4-hydroxybut-2-en-2-yl]-2,2-dimethyloxolan-3-ol
CID 10702711
(3S,5R)-5-[(E)-4-hydroxybut-2-en-2-yl]-2,2-dimethyloxolan-3-ol
CID 10773904
3,7-Dimethyl-9-(-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-1,6-dien-3-ol
CID 139586788
Ethanol, 2-(1,4-dioxaspiro[4.5]dec-8-ylidene)-
CID 10976162
(2Z)-2-[(6S)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylcyclohex-3-en-1-ylidene]ethanol
CID 11107412
2-[(E)-6-[(2S)-3,3-dimethyloxiran-2-yl]-4-methylhex-3-enyl]-2-methyl-1,3-dioxolane
CID 24859457
(E,4R,5R)-2,4-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)hex-2-ene-1,5-diol
CID 46849798
(2S)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,6-dimethyloct-6-en-1-ol
CID 123276701
(5R)-2,2,4,4-tetramethyl-5-[(3Z,7E)-3-methylnona-3,7-dienyl]-1,3-dioxolane
CID 134901353
(5R)-5-[(E)-4-hydroxybut-2-en-2-yl]-2,2-dimethyloxolan-3-ol
CID 135037007

Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-5-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)pent-2-en-1-ol?
The IUPAC name of (E)-3-methyl-5-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)pent-2-en-1-ol (CID 11042492) is (E)-3-methyl-5-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)pent-2-en-1-ol.
What is the SMILES notation for (E)-3-methyl-5-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)pent-2-en-1-ol?
The canonical SMILES for (E)-3-methyl-5-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)pent-2-en-1-ol is C/C(=C\CO)CCC1OC(C)(C)OC1(C)C.
What is the InChIKey of (E)-3-methyl-5-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)pent-2-en-1-ol?
The InChIKey is LIDVLVSPTPJSLW-CSKARUKUSA-N. The full InChI is InChI=1S/C13H24O3/c1-10(8-9-14)6-7-11-12(2,3)16-13(4,5)15-11/h8,11,14H,6-7,9H2,1-5H3/b10-8+.
What are the key properties of (E)-3-methyl-5-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)pent-2-en-1-ol?
(E)-3-methyl-5-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)pent-2-en-1-ol has a molecular weight of 228.33 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-5-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)pent-2-en-1-ol is sourced from PubChem (CID 11042492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).