(7-ethyl-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methanol

C12H22O — CID 174794859

IUPAC(7-ethyl-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methanol
SMILESCCC1C2CCC(CO)C1C2(C)C
InChIInChI=1S/C12H22O/c1-4-9-10-6-5-8(7-13)11(9)12(10,2)3/h8-11,13H,4-7H2,1-3H3
InChIKeyNIRRMNNYZDKWCY-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.69
Rot. Bonds2

About (7-ethyl-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methanol

(7-ethyl-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methanol (PubChem CID 174794859) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (7-ethyl-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methanol.

Molecular Properties

Compound Name(7-ethyl-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methanol
PubChem CID174794859
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(7-ethyl-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methanol
SMILESCCC1C2CCC(CO)C1C2(C)C
InChIInChI=1S/C12H22O/c1-4-9-10-6-5-8(7-13)11(9)12(10,2)3/h8-11,13H,4-7H2,1-3H3
InChIKeyNIRRMNNYZDKWCY-UHFFFAOYSA-N
XLogP2.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (7-ethyl-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methanol?
The IUPAC name of (7-ethyl-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methanol (CID 174794859) is (7-ethyl-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methanol.
What is the SMILES notation for (7-ethyl-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methanol?
The canonical SMILES for (7-ethyl-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methanol is CCC1C2CCC(CO)C1C2(C)C.
What is the InChIKey of (7-ethyl-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methanol?
The InChIKey is NIRRMNNYZDKWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-4-9-10-6-5-8(7-13)11(9)12(10,2)3/h8-11,13H,4-7H2,1-3H3.
What are the key properties of (7-ethyl-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methanol?
(7-ethyl-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methanol has a molecular weight of 182.31 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7-ethyl-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methanol is sourced from PubChem (CID 174794859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).