[(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol

C9H16O3 — CID 10607289

IUPAC[(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol
SMILESC=CC[C@@H]1OC(C)(C)O[C@H]1CO
InChIInChI=1S/C9H16O3/c1-4-5-7-8(6-10)12-9(2,3)11-7/h4,7-8,10H,1,5-6H2,2-3H3/t7-,8-/m0/s1
InChIKeyWIKASJVGNPYKDR-YUMQZZPRSA-N
MW172.22 g/mol
LogP1.07
Rot. Bonds3

About [(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol

[(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol (PubChem CID 10607289) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is [(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol
PubChem CID10607289
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name[(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol
SMILESC=CC[C@@H]1OC(C)(C)O[C@H]1CO
InChIInChI=1S/C9H16O3/c1-4-5-7-8(6-10)12-9(2,3)11-7/h4,7-8,10H,1,5-6H2,2-3H3/t7-,8-/m0/s1
InChIKeyWIKASJVGNPYKDR-YUMQZZPRSA-N
XLogP1.07
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 ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol (CID 10607289) is [(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol is C=CC[C@@H]1OC(C)(C)O[C@H]1CO.
What is the InChIKey of [(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol?
The InChIKey is WIKASJVGNPYKDR-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H16O3/c1-4-5-7-8(6-10)12-9(2,3)11-7/h4,7-8,10H,1,5-6H2,2-3H3/t7-,8-/m0/s1.
What are the key properties of [(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol?
[(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol has a molecular weight of 172.22 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 10607289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).