3-[1-(2-butyl-1,3-dioxol-2-yl)cyclopropyl]propan-1-ol

C13H22O3 — CID 141007685

IUPAC3-[1-(2-butyl-1,3-dioxol-2-yl)cyclopropyl]propan-1-ol
SMILESCCCCC1(C2(CCCO)CC2)OC=CO1
InChIInChI=1S/C13H22O3/c1-2-3-6-13(15-10-11-16-13)12(7-8-12)5-4-9-14/h10-11,14H,2-9H2,1H3
InChIKeyBRDGJLAVMSAUDT-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.94
Rot. Bonds7

About 3-[1-(2-butyl-1,3-dioxol-2-yl)cyclopropyl]propan-1-ol

3-[1-(2-butyl-1,3-dioxol-2-yl)cyclopropyl]propan-1-ol (PubChem CID 141007685) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-[1-(2-butyl-1,3-dioxol-2-yl)cyclopropyl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(2-butyl-1,3-dioxol-2-yl)cyclopropyl]propan-1-ol
PubChem CID141007685
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Name3-[1-(2-butyl-1,3-dioxol-2-yl)cyclopropyl]propan-1-ol
SMILESCCCCC1(C2(CCCO)CC2)OC=CO1
InChIInChI=1S/C13H22O3/c1-2-3-6-13(15-10-11-16-13)12(7-8-12)5-4-9-14/h10-11,14H,2-9H2,1H3
InChIKeyBRDGJLAVMSAUDT-UHFFFAOYSA-N
XLogP2.94
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-butyloxetan-3-yl)hexan-1-ol
CID 68636171
3-[1-(3-hydroxypropyl)-4,4-dimethylcyclohexyl]propan-1-ol
CID 139787359
(1-butylcyclobutyl)methanol
CID 12786214
2-[1-(2-propyl-1,3-dioxolan-2-yl)cyclopropyl]ethanol
CID 22042453
5-(2-butyloxetan-2-yl)pentan-1-ol
CID 68634835
2-heptyl-2-octyl-1,3-dioxole
CID 141318565
[1-(2-methyl-1,3-dioxol-2-yl)cyclopropyl]methanol
CID 141007678
1-butyl-1-(1-butylcyclohexyl)cyclohexane
CID 173069670
[1-(butylaminomethyl)cyclopropyl]methanol
CID 115454363
(1,2,3,4-13C4)butan-1-ol
CID 71309697
butan-1-ol
CID 20532113
N-[2-(1-butylcyclopropyl)ethylidene]hydroxylamine
CID 71386349

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-butyl-1,3-dioxol-2-yl)cyclopropyl]propan-1-ol?
The IUPAC name of 3-[1-(2-butyl-1,3-dioxol-2-yl)cyclopropyl]propan-1-ol (CID 141007685) is 3-[1-(2-butyl-1,3-dioxol-2-yl)cyclopropyl]propan-1-ol.
What is the SMILES notation for 3-[1-(2-butyl-1,3-dioxol-2-yl)cyclopropyl]propan-1-ol?
The canonical SMILES for 3-[1-(2-butyl-1,3-dioxol-2-yl)cyclopropyl]propan-1-ol is CCCCC1(C2(CCCO)CC2)OC=CO1.
What is the InChIKey of 3-[1-(2-butyl-1,3-dioxol-2-yl)cyclopropyl]propan-1-ol?
The InChIKey is BRDGJLAVMSAUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3/c1-2-3-6-13(15-10-11-16-13)12(7-8-12)5-4-9-14/h10-11,14H,2-9H2,1H3.
What are the key properties of 3-[1-(2-butyl-1,3-dioxol-2-yl)cyclopropyl]propan-1-ol?
3-[1-(2-butyl-1,3-dioxol-2-yl)cyclopropyl]propan-1-ol has a molecular weight of 226.32 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-butyl-1,3-dioxol-2-yl)cyclopropyl]propan-1-ol is sourced from PubChem (CID 141007685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).