(7,7-dimethyl-3-bicyclo[4.1.0]heptanyl)methanol

C10H18O — CID 13468573

IUPAC(7,7-dimethyl-3-bicyclo[4.1.0]heptanyl)methanol
SMILESCC1(C)C2CCC(CO)CC21
InChIInChI=1S/C10H18O/c1-10(2)8-4-3-7(6-11)5-9(8)10/h7-9,11H,3-6H2,1-2H3
InChIKeyRUNQEPRTFSMVNH-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.05
Rot. Bonds1

About (7,7-dimethyl-3-bicyclo[4.1.0]heptanyl)methanol

(7,7-dimethyl-3-bicyclo[4.1.0]heptanyl)methanol (PubChem CID 13468573) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (7,7-dimethyl-3-bicyclo[4.1.0]heptanyl)methanol.

Molecular Properties

Compound Name(7,7-dimethyl-3-bicyclo[4.1.0]heptanyl)methanol
PubChem CID13468573
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(7,7-dimethyl-3-bicyclo[4.1.0]heptanyl)methanol
SMILESCC1(C)C2CCC(CO)CC21
InChIInChI=1S/C10H18O/c1-10(2)8-4-3-7(6-11)5-9(8)10/h7-9,11H,3-6H2,1-2H3
InChIKeyRUNQEPRTFSMVNH-UHFFFAOYSA-N
XLogP2.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (7,7-dimethyl-3-bicyclo[4.1.0]heptanyl)methanol?
The IUPAC name of (7,7-dimethyl-3-bicyclo[4.1.0]heptanyl)methanol (CID 13468573) is (7,7-dimethyl-3-bicyclo[4.1.0]heptanyl)methanol.
What is the SMILES notation for (7,7-dimethyl-3-bicyclo[4.1.0]heptanyl)methanol?
The canonical SMILES for (7,7-dimethyl-3-bicyclo[4.1.0]heptanyl)methanol is CC1(C)C2CCC(CO)CC21.
What is the InChIKey of (7,7-dimethyl-3-bicyclo[4.1.0]heptanyl)methanol?
The InChIKey is RUNQEPRTFSMVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-10(2)8-4-3-7(6-11)5-9(8)10/h7-9,11H,3-6H2,1-2H3.
What are the key properties of (7,7-dimethyl-3-bicyclo[4.1.0]heptanyl)methanol?
(7,7-dimethyl-3-bicyclo[4.1.0]heptanyl)methanol has a molecular weight of 154.25 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7,7-dimethyl-3-bicyclo[4.1.0]heptanyl)methanol is sourced from PubChem (CID 13468573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).