(E)-5-(1,3-dioxolan-2-yl)-3-methylpent-2-en-1-ol

C9H16O3 — CID 5366368

IUPAC(E)-5-(1,3-dioxolan-2-yl)-3-methylpent-2-en-1-ol
SMILESC/C(=C\CO)CCC1OCCO1
InChIInChI=1S/C9H16O3/c1-8(4-5-10)2-3-9-11-6-7-12-9/h4,9-10H,2-3,5-7H2,1H3/b8-4+
InChIKeyWTSRONQBZHBNRE-XBXARRHUSA-N
MW172.22 g/mol
LogP1.08
Rot. Bonds4

About (E)-5-(1,3-dioxolan-2-yl)-3-methylpent-2-en-1-ol

(E)-5-(1,3-dioxolan-2-yl)-3-methylpent-2-en-1-ol (PubChem CID 5366368) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is (E)-5-(1,3-dioxolan-2-yl)-3-methylpent-2-en-1-ol.

Molecular Properties

Compound Name(E)-5-(1,3-dioxolan-2-yl)-3-methylpent-2-en-1-ol
PubChem CID5366368
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name(E)-5-(1,3-dioxolan-2-yl)-3-methylpent-2-en-1-ol
SMILESC/C(=C\CO)CCC1OCCO1
InChIInChI=1S/C9H16O3/c1-8(4-5-10)2-3-9-11-6-7-12-9/h4,9-10H,2-3,5-7H2,1H3/b8-4+
InChIKeyWTSRONQBZHBNRE-XBXARRHUSA-N
XLogP1.08
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.08
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

Ethanol, 2-(1,4-dioxaspiro[4.5]dec-8-ylidene)-
CID 10976162
(E)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol
CID 22959671
(Z)-5-(1,3-dioxolan-2-yl)pent-2-en-1-ol
CID 68873060
(E)-2-methyl-4-(2-methyl-1,3-dioxolan-2-yl)but-2-en-1-ol
CID 46849632
10,10-Dimethoxy-3,7-dimethyl-deca-2,6-dien-1-ol
CID 5366901
(E)-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pent-2-en-1-ol
CID 10559466
(Z)-2-methyl-5-(2-methyl-[1,3]dioxolan-2-yl)-pent-2-en-1-ol
CID 12402778
(E)-4-methyl-7-(2-methyl-1,3-dioxolan-2-yl)hept-4-en-1-ol
CID 23260524
(E)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol
CID 11063132
(4E,6E)-9-[1,3]dioxolan-2-yl-7-methyl-nona-4,6-dien-1-ol
CID 12017361
(E)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-2-en-1-ol
CID 18533428
(2E,6E)-3,7-dimethyl-9-(2-prop-1-en-2-yl-1,3-dioxolan-2-yl)nona-2,6-dien-1-ol
CID 21242274

Frequently Asked Questions

What is the IUPAC name of (E)-5-(1,3-dioxolan-2-yl)-3-methylpent-2-en-1-ol?
The IUPAC name of (E)-5-(1,3-dioxolan-2-yl)-3-methylpent-2-en-1-ol (CID 5366368) is (E)-5-(1,3-dioxolan-2-yl)-3-methylpent-2-en-1-ol.
What is the SMILES notation for (E)-5-(1,3-dioxolan-2-yl)-3-methylpent-2-en-1-ol?
The canonical SMILES for (E)-5-(1,3-dioxolan-2-yl)-3-methylpent-2-en-1-ol is C/C(=C\CO)CCC1OCCO1.
What is the InChIKey of (E)-5-(1,3-dioxolan-2-yl)-3-methylpent-2-en-1-ol?
The InChIKey is WTSRONQBZHBNRE-XBXARRHUSA-N. The full InChI is InChI=1S/C9H16O3/c1-8(4-5-10)2-3-9-11-6-7-12-9/h4,9-10H,2-3,5-7H2,1H3/b8-4+.
What are the key properties of (E)-5-(1,3-dioxolan-2-yl)-3-methylpent-2-en-1-ol?
(E)-5-(1,3-dioxolan-2-yl)-3-methylpent-2-en-1-ol has a molecular weight of 172.22 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(1,3-dioxolan-2-yl)-3-methylpent-2-en-1-ol is sourced from PubChem (CID 5366368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).