trans-(1R,2R)-2-butyl-1-methylcyclopropan-1-ol

C8H16O — CID 10855472

IUPACtrans-(1R,2R)-2-butyl-1-methylcyclopropan-1-ol
SMILESCCCC[C@@H]1C[C@@]1(C)O
InChIInChI=1S/C8H16O/c1-3-4-5-7-6-8(7,2)9/h7,9H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyBXRPQEIMVAVFKI-HTQZYQBOSA-N
MW128.22 g/mol
LogP1.95
Rot. Bonds3

About trans-(1R,2R)-2-butyl-1-methylcyclopropan-1-ol

trans-(1R,2R)-2-butyl-1-methylcyclopropan-1-ol (PubChem CID 10855472) has the molecular formula C8H16O and a molecular weight of 128.22 g/mol. Its IUPAC name is trans-(1R,2R)-2-butyl-1-methylcyclopropan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-butyl-1-methylcyclopropan-1-ol
PubChem CID10855472
Molecular FormulaC8H16O
Molecular Weight128.22 g/mol
Exact Mass128.12
IUPAC Nametrans-(1R,2R)-2-butyl-1-methylcyclopropan-1-ol
SMILESCCCC[C@@H]1C[C@@]1(C)O
InChIInChI=1S/C8H16O/c1-3-4-5-7-6-8(7,2)9/h7,9H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyBXRPQEIMVAVFKI-HTQZYQBOSA-N
XLogP1.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Tetrahydrolinalool
CID 6548
1-Methylcycloheptan-1-ol
CID 77376
2,4-Dimethyl-4-nonanol
CID 3018500
3,6-Dimethyl-3-octanol
CID 9027
Tetrahydromyrcenol
CID 86751
2-Octanol, 2-methyl-
CID 69406
3-Methyl-3-octanol
CID 21432
2,7-Dimethyl-2,7-octanediol
CID 140597
2-Nonanol, 2-methyl-
CID 25139
1-Methylcyclooctanol
CID 97178
3,6-Dimethyl-3-heptanol
CID 15297
4-Cyclohexyl-2-methyl-2-butanol
CID 14434313

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-butyl-1-methylcyclopropan-1-ol?
The IUPAC name of trans-(1R,2R)-2-butyl-1-methylcyclopropan-1-ol (CID 10855472) is trans-(1R,2R)-2-butyl-1-methylcyclopropan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-butyl-1-methylcyclopropan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-butyl-1-methylcyclopropan-1-ol is CCCC[C@@H]1C[C@@]1(C)O.
What is the InChIKey of trans-(1R,2R)-2-butyl-1-methylcyclopropan-1-ol?
The InChIKey is BXRPQEIMVAVFKI-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H16O/c1-3-4-5-7-6-8(7,2)9/h7,9H,3-6H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of trans-(1R,2R)-2-butyl-1-methylcyclopropan-1-ol?
trans-(1R,2R)-2-butyl-1-methylcyclopropan-1-ol has a molecular weight of 128.22 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-butyl-1-methylcyclopropan-1-ol is sourced from PubChem (CID 10855472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).