[(4R)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxolan-4-yl]methanol

C9H16O3 — CID 14190096

IUPAC[(4R)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxolan-4-yl]methanol
SMILESC=CC[C@@]1(CO)COC(C)(C)O1
InChIInChI=1S/C9H16O3/c1-4-5-9(6-10)7-11-8(2,3)12-9/h4,10H,1,5-7H2,2-3H3/t9-/m1/s1
InChIKeyZFRRINPIHDJLQV-SECBINFHSA-N
MW172.22 g/mol
LogP1.08
Rot. Bonds3

About [(4R)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxolan-4-yl]methanol

[(4R)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxolan-4-yl]methanol (PubChem CID 14190096) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is [(4R)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[(4R)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxolan-4-yl]methanol
PubChem CID14190096
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name[(4R)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxolan-4-yl]methanol
SMILESC=CC[C@@]1(CO)COC(C)(C)O1
InChIInChI=1S/C9H16O3/c1-4-5-9(6-10)7-11-8(2,3)12-9/h4,10H,1,5-7H2,2-3H3/t9-/m1/s1
InChIKeyZFRRINPIHDJLQV-SECBINFHSA-N
XLogP1.08
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol
CID 10920969
(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol
CID 11229054
(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol
CID 11321231
2,2-Dimethyl-alpha-2-propenyl-1,3-dioxolane-4-methanol
CID 12641532
(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 10583056
[(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol
CID 10607289
1-((S)-2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol
CID 10419437
1-((R)-2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol
CID 10920779
2-Methyl-2-allyl-4-methylol-1,3-dioxolane
CID 69674767
4-(2,2-Dimethyl-1,3-dioxolan-4-yl)hepta-1,6-dien-4-ol
CID 12186232
[(4R,5R)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol
CID 12190813
1,2-Dideoxy-4,5-O-(1-methylethylidene)pent-1-enitol
CID 13723233

Frequently Asked Questions

What is the IUPAC name of [(4R)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [(4R)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxolan-4-yl]methanol (CID 14190096) is [(4R)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [(4R)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [(4R)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxolan-4-yl]methanol is C=CC[C@@]1(CO)COC(C)(C)O1.
What is the InChIKey of [(4R)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxolan-4-yl]methanol?
The InChIKey is ZFRRINPIHDJLQV-SECBINFHSA-N. The full InChI is InChI=1S/C9H16O3/c1-4-5-9(6-10)7-11-8(2,3)12-9/h4,10H,1,5-7H2,2-3H3/t9-/m1/s1.
What are the key properties of [(4R)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxolan-4-yl]methanol?
[(4R)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxolan-4-yl]methanol has a molecular weight of 172.22 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 14190096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).