cyclohepten-1-yl-(2-methylcyclopropyl)methanol

C12H20O — CID 62078578

IUPACcyclohepten-1-yl-(2-methylcyclopropyl)methanol
SMILESCC1CC1C(O)C1=CCCCCC1
InChIInChI=1S/C12H20O/c1-9-8-11(9)12(13)10-6-4-2-3-5-7-10/h6,9,11-13H,2-5,7-8H2,1H3
InChIKeyYLBIGJYJACQQPB-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.89
Rot. Bonds2

About cyclohepten-1-yl-(2-methylcyclopropyl)methanol

cyclohepten-1-yl-(2-methylcyclopropyl)methanol (PubChem CID 62078578) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is cyclohepten-1-yl-(2-methylcyclopropyl)methanol.

Molecular Properties

Compound Namecyclohepten-1-yl-(2-methylcyclopropyl)methanol
PubChem CID62078578
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Namecyclohepten-1-yl-(2-methylcyclopropyl)methanol
SMILESCC1CC1C(O)C1=CCCCCC1
InChIInChI=1S/C12H20O/c1-9-8-11(9)12(13)10-6-4-2-3-5-7-10/h6,9,11-13H,2-5,7-8H2,1H3
InChIKeyYLBIGJYJACQQPB-UHFFFAOYSA-N
XLogP2.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

cyclopenten-1-yl-(2-methylcyclopropyl)methanol
CID 62080405
cyclohepten-1-yl-(2-methylcyclopentyl)methanol
CID 107181713
cycloocten-1-yl-(2-methyloxolan-3-yl)methanol
CID 106657618
2-bicyclo[2.2.1]heptanyl(cycloocten-1-yl)methanol
CID 106657571
cycloocten-1-yl(cyclopropyl)methanol
CID 106651053
cyclohepten-1-yl-(5-methyloxolan-3-yl)methanol
CID 114826734
cyclohepten-1-yl(cyclopentyl)methanol
CID 62078752
cycloocten-1-yl-(2,2-dimethylcyclopropyl)methanol
CID 107005521
6-bicyclo[3.1.0]hexanyl(cycloocten-1-yl)methanol
CID 106657681
cyclohexen-1-ylmethanediol
CID 21392290
cyclohepten-1-yl-[5-(2-methylcyclopropyl)furan-2-yl]methanol
CID 106651031
cyclohepten-1-yl(oxolan-2-yl)methanol
CID 62078402

Frequently Asked Questions

What is the IUPAC name of cyclohepten-1-yl-(2-methylcyclopropyl)methanol?
The IUPAC name of cyclohepten-1-yl-(2-methylcyclopropyl)methanol (CID 62078578) is cyclohepten-1-yl-(2-methylcyclopropyl)methanol.
What is the SMILES notation for cyclohepten-1-yl-(2-methylcyclopropyl)methanol?
The canonical SMILES for cyclohepten-1-yl-(2-methylcyclopropyl)methanol is CC1CC1C(O)C1=CCCCCC1.
What is the InChIKey of cyclohepten-1-yl-(2-methylcyclopropyl)methanol?
The InChIKey is YLBIGJYJACQQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-9-8-11(9)12(13)10-6-4-2-3-5-7-10/h6,9,11-13H,2-5,7-8H2,1H3.
What are the key properties of cyclohepten-1-yl-(2-methylcyclopropyl)methanol?
cyclohepten-1-yl-(2-methylcyclopropyl)methanol has a molecular weight of 180.29 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepten-1-yl-(2-methylcyclopropyl)methanol is sourced from PubChem (CID 62078578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).