(E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylidenebut-3-en-1-ol

C10H16O3 — CID 131235695

IUPAC(E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylidenebut-3-en-1-ol
SMILESC=C(/C=C/[C@H]1COC(C)(C)O1)CO
InChIInChI=1S/C10H16O3/c1-8(6-11)4-5-9-7-12-10(2,3)13-9/h4-5,9,11H,1,6-7H2,2-3H3/b5-4+/t9-/m0/s1
InChIKeyPQKPDZZAWBOVBL-MOVJSRMASA-N
MW184.23 g/mol
LogP1.24
Rot. Bonds3

About (E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylidenebut-3-en-1-ol

(E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylidenebut-3-en-1-ol (PubChem CID 131235695) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylidenebut-3-en-1-ol.

Molecular Properties

Compound Name(E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylidenebut-3-en-1-ol
PubChem CID131235695
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylidenebut-3-en-1-ol
SMILESC=C(/C=C/[C@H]1COC(C)(C)O1)CO
InChIInChI=1S/C10H16O3/c1-8(6-11)4-5-9-7-12-10(2,3)13-9/h4-5,9,11H,1,6-7H2,2-3H3/b5-4+/t9-/m0/s1
InChIKeyPQKPDZZAWBOVBL-MOVJSRMASA-N
XLogP1.24
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylidenebut-3-en-1-ol with MolForge

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Related Compounds

(4R)-4-[(E)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]-2,2-dimethyl-1,3-dioxolane
CID 11310734
(E)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoic acid
CID 12861744
1-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-1-en-3-one
CID 71339409
1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-en-3-one
CID 71352243
(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-pyrrolidin-1-ylprop-2-ene-1-selone
CID 11748200
(4S)-2,2-dimethyl-4-[(1Z)-octa-1,7-dienyl]-1,3-dioxolane
CID 10536443
4-(3-bromoprop-1-enyl)-2,2-dimethyl-1,3-dioxolane
CID 72828688
(E)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methylidenepent-4-enenitrile
CID 45097166
(4S)-2,2-dimethyl-4-[(E)-pent-1-enyl]-1,3-dioxolane
CID 21178132
[(E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enyl]-trimethylsilane
CID 11275935
(4S)-2,2-dimethyl-4-(2-methylprop-1-enyl)-1,3-dioxolane
CID 89090378
3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enal
CID 72833007

Frequently Asked Questions

What is the IUPAC name of (E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylidenebut-3-en-1-ol?
The IUPAC name of (E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylidenebut-3-en-1-ol (CID 131235695) is (E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylidenebut-3-en-1-ol.
What is the SMILES notation for (E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylidenebut-3-en-1-ol?
The canonical SMILES for (E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylidenebut-3-en-1-ol is C=C(/C=C/[C@H]1COC(C)(C)O1)CO.
What is the InChIKey of (E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylidenebut-3-en-1-ol?
The InChIKey is PQKPDZZAWBOVBL-MOVJSRMASA-N. The full InChI is InChI=1S/C10H16O3/c1-8(6-11)4-5-9-7-12-10(2,3)13-9/h4-5,9,11H,1,6-7H2,2-3H3/b5-4+/t9-/m0/s1.
What are the key properties of (E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylidenebut-3-en-1-ol?
(E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylidenebut-3-en-1-ol has a molecular weight of 184.23 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylidenebut-3-en-1-ol is sourced from PubChem (CID 131235695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).