1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol

C12H22O — CID 23321366

IUPAC1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol
SMILESCC(O)CC1C2CCC(C2)C1(C)C
InChIInChI=1S/C12H22O/c1-8(13)6-11-9-4-5-10(7-9)12(11,2)3/h8-11,13H,4-7H2,1-3H3
InChIKeyCWNPRFFBKVXNOV-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.83
Rot. Bonds2

About 1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol

1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol (PubChem CID 23321366) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol.

Molecular Properties

Compound Name1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol
PubChem CID23321366
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol
SMILESCC(O)CC1C2CCC(C2)C1(C)C
InChIInChI=1S/C12H22O/c1-8(13)6-11-9-4-5-10(7-9)12(11,2)3/h8-11,13H,4-7H2,1-3H3
InChIKeyCWNPRFFBKVXNOV-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Borneol
CID 64685
Isoborneol
CID 6321405
D-Borneol
CID 6552009
Fenchol
CID 15406
Borneol, (-)-
CID 1201518
Isobornyl cyclohexanol
CID 103005
(+)-Fenchol
CID 6997371
(-)-alpha-Fenchol
CID 439711
Bicyclo(2.2.1)heptane-2-methanol
CID 21308
alpha-Caryophyllene alcohol
CID 521185
4-Hydroxy-1-(5-isocamphyl)cyclohexane
CID 106673
Cyclohexanepropanol, 2,2,6-trimethyl-alpha-propyl-
CID 116699

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol?
The IUPAC name of 1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol (CID 23321366) is 1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol.
What is the SMILES notation for 1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol?
The canonical SMILES for 1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol is CC(O)CC1C2CCC(C2)C1(C)C.
What is the InChIKey of 1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol?
The InChIKey is CWNPRFFBKVXNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-8(13)6-11-9-4-5-10(7-9)12(11,2)3/h8-11,13H,4-7H2,1-3H3.
What are the key properties of 1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol?
1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol has a molecular weight of 182.31 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol is sourced from PubChem (CID 23321366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).