(2R)-4-(2-prop-2-enyl-1,3-dioxolan-2-yl)butan-2-ol

C10H18O3 — CID 130989675

IUPAC(2R)-4-(2-prop-2-enyl-1,3-dioxolan-2-yl)butan-2-ol
SMILESC=CCC1(CC[C@@H](C)O)OCCO1
InChIInChI=1S/C10H18O3/c1-3-5-10(6-4-9(2)11)12-7-8-13-10/h3,9,11H,1,4-8H2,2H3/t9-/m1/s1
InChIKeyDAOHLAKFPSJXMX-SECBINFHSA-N
MW186.25 g/mol
LogP1.47
Rot. Bonds5

About (2R)-4-(2-prop-2-enyl-1,3-dioxolan-2-yl)butan-2-ol

(2R)-4-(2-prop-2-enyl-1,3-dioxolan-2-yl)butan-2-ol (PubChem CID 130989675) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2R)-4-(2-prop-2-enyl-1,3-dioxolan-2-yl)butan-2-ol.

Molecular Properties

Compound Name(2R)-4-(2-prop-2-enyl-1,3-dioxolan-2-yl)butan-2-ol
PubChem CID130989675
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(2R)-4-(2-prop-2-enyl-1,3-dioxolan-2-yl)butan-2-ol
SMILESC=CCC1(CC[C@@H](C)O)OCCO1
InChIInChI=1S/C10H18O3/c1-3-5-10(6-4-9(2)11)12-7-8-13-10/h3,9,11H,1,4-8H2,2H3/t9-/m1/s1
InChIKeyDAOHLAKFPSJXMX-SECBINFHSA-N
XLogP1.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.47
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

5-(2-Methyl-1,3-dioxolan-2-yl)pent-1-en-3-ol
CID 10057979
(1S)-1-[(4S,5S)-5-[(1S)-1-hydroxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 10899994
(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
[(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol
CID 10607289
(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
4(5-Hexenyl)-2,2-dimethyl-1,3-dioxolane
CID 11458097
1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylbut-3-en-1-ol
CID 53465510
[(4R,5R)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol
CID 12190813
(5-Allyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol
CID 21061831
(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-en-1-ol
CID 10242290

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(2-prop-2-enyl-1,3-dioxolan-2-yl)butan-2-ol?
The IUPAC name of (2R)-4-(2-prop-2-enyl-1,3-dioxolan-2-yl)butan-2-ol (CID 130989675) is (2R)-4-(2-prop-2-enyl-1,3-dioxolan-2-yl)butan-2-ol.
What is the SMILES notation for (2R)-4-(2-prop-2-enyl-1,3-dioxolan-2-yl)butan-2-ol?
The canonical SMILES for (2R)-4-(2-prop-2-enyl-1,3-dioxolan-2-yl)butan-2-ol is C=CCC1(CC[C@@H](C)O)OCCO1.
What is the InChIKey of (2R)-4-(2-prop-2-enyl-1,3-dioxolan-2-yl)butan-2-ol?
The InChIKey is DAOHLAKFPSJXMX-SECBINFHSA-N. The full InChI is InChI=1S/C10H18O3/c1-3-5-10(6-4-9(2)11)12-7-8-13-10/h3,9,11H,1,4-8H2,2H3/t9-/m1/s1.
What are the key properties of (2R)-4-(2-prop-2-enyl-1,3-dioxolan-2-yl)butan-2-ol?
(2R)-4-(2-prop-2-enyl-1,3-dioxolan-2-yl)butan-2-ol has a molecular weight of 186.25 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(2-prop-2-enyl-1,3-dioxolan-2-yl)butan-2-ol is sourced from PubChem (CID 130989675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).