1-(6-bicyclo[3.1.0]hexanyl)-4-(oxolan-2-yl)butan-1-ol

C14H24O2 — CID 115808964

IUPAC1-(6-bicyclo[3.1.0]hexanyl)-4-(oxolan-2-yl)butan-1-ol
SMILESOC(CCCC1CCCO1)C1C2CCCC21
InChIInChI=1S/C14H24O2/c15-13(14-11-6-2-7-12(11)14)8-1-4-10-5-3-9-16-10/h10-15H,1-9H2
InChIKeyAXOMJWYWSFNJBI-UHFFFAOYSA-N
MW224.34 g/mol
LogP2.74
Rot. Bonds5

About 1-(6-bicyclo[3.1.0]hexanyl)-4-(oxolan-2-yl)butan-1-ol

1-(6-bicyclo[3.1.0]hexanyl)-4-(oxolan-2-yl)butan-1-ol (PubChem CID 115808964) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 1-(6-bicyclo[3.1.0]hexanyl)-4-(oxolan-2-yl)butan-1-ol.

Molecular Properties

Compound Name1-(6-bicyclo[3.1.0]hexanyl)-4-(oxolan-2-yl)butan-1-ol
PubChem CID115808964
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name1-(6-bicyclo[3.1.0]hexanyl)-4-(oxolan-2-yl)butan-1-ol
SMILESOC(CCCC1CCCO1)C1C2CCCC21
InChIInChI=1S/C14H24O2/c15-13(14-11-6-2-7-12(11)14)8-1-4-10-5-3-9-16-10/h10-15H,1-9H2
InChIKeyAXOMJWYWSFNJBI-UHFFFAOYSA-N
XLogP2.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-4-(oxolan-2-yl)butan-1-ol
CID 65167122
3-methyl-6-(oxolan-2-yl)hexan-2-ol
CID 65166050
4-(oxolan-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]butan-1-ol
CID 105104877
1-(oxolan-2-yl)octane-4,5-diol
CID 103454832
1,1-difluoro-5-(oxolan-2-yl)pentan-2-amine
CID 103516724
5-(oxolan-2-yl)-1-propan-2-ylsulfanylpentan-2-ol
CID 65167230
2-(3-bromopropyl)oxolane
CID 15783712
2-[4-[5-(oxolan-2-yl)pentan-2-ylsulfanyl]pentyl]oxolane
CID 54448834
2-(4-chloro-4-cyclopropylbutyl)oxolane
CID 64506432
1-(diethylamino)-6-(oxolan-2-yl)hexan-3-ol
CID 79087658
(2S)-2-amino-5-(oxolan-2-yl)pentanoic acid
CID 106702722
5-(aminomethyl)-6-methyl-1-(oxolan-2-yl)heptan-4-ol
CID 107443069

Frequently Asked Questions

What is the IUPAC name of 1-(6-bicyclo[3.1.0]hexanyl)-4-(oxolan-2-yl)butan-1-ol?
The IUPAC name of 1-(6-bicyclo[3.1.0]hexanyl)-4-(oxolan-2-yl)butan-1-ol (CID 115808964) is 1-(6-bicyclo[3.1.0]hexanyl)-4-(oxolan-2-yl)butan-1-ol.
What is the SMILES notation for 1-(6-bicyclo[3.1.0]hexanyl)-4-(oxolan-2-yl)butan-1-ol?
The canonical SMILES for 1-(6-bicyclo[3.1.0]hexanyl)-4-(oxolan-2-yl)butan-1-ol is OC(CCCC1CCCO1)C1C2CCCC21.
What is the InChIKey of 1-(6-bicyclo[3.1.0]hexanyl)-4-(oxolan-2-yl)butan-1-ol?
The InChIKey is AXOMJWYWSFNJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c15-13(14-11-6-2-7-12(11)14)8-1-4-10-5-3-9-16-10/h10-15H,1-9H2.
What are the key properties of 1-(6-bicyclo[3.1.0]hexanyl)-4-(oxolan-2-yl)butan-1-ol?
1-(6-bicyclo[3.1.0]hexanyl)-4-(oxolan-2-yl)butan-1-ol has a molecular weight of 224.34 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bicyclo[3.1.0]hexanyl)-4-(oxolan-2-yl)butan-1-ol is sourced from PubChem (CID 115808964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).