trans-(1R,2R)-2-methylcycloheptan-1-ol

C8H16O — CID 638183

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

About trans-(1R,2R)-2-methylcycloheptan-1-ol

trans-(1R,2R)-2-methylcycloheptan-1-ol (PubChem CID 638183) has the molecular formula C8H16O and a molecular weight of 128.22 g/mol. Its IUPAC name is trans-(1R,2R)-2-methylcycloheptan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-methylcycloheptan-1-ol
PubChem CID638183
Molecular FormulaC8H16O
Molecular Weight128.22 g/mol
Exact Mass128.12
IUPAC Nametrans-(1R,2R)-2-methylcycloheptan-1-ol
SMILESC[C@@H]1CCCCC[C@H]1O
InChIInChI=1S/C8H16O/c1-7-5-3-2-4-6-8(7)9/h7-9H,2-6H2,1H3/t7-,8-/m1/s1
InChIKeyCVEWSZALSLGZAU-HTQZYQBOSA-N
XLogP1.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
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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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-methylcycloheptan-1-ol?
The IUPAC name of trans-(1R,2R)-2-methylcycloheptan-1-ol (CID 638183) is trans-(1R,2R)-2-methylcycloheptan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-methylcycloheptan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-methylcycloheptan-1-ol is C[C@@H]1CCCCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-methylcycloheptan-1-ol?
The InChIKey is CVEWSZALSLGZAU-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H16O/c1-7-5-3-2-4-6-8(7)9/h7-9H,2-6H2,1H3/t7-,8-/m1/s1.
What are the key properties of trans-(1R,2R)-2-methylcycloheptan-1-ol?
trans-(1R,2R)-2-methylcycloheptan-1-ol has a molecular weight of 128.22 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-methylcycloheptan-1-ol is sourced from PubChem (CID 638183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).