(1R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-ol

C10H16O — CID 12647283

IUPAC(1R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-ol
SMILESCC1(C)[C@H]2C=C(O)[C@]1(C)CC2
InChIInChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h6-7,11H,4-5H2,1-3H3/t7-,10+/m1/s1
InChIKeyQCSCVXPUXNDOGX-XCBNKYQSSA-N
MW152.24 g/mol
LogP2.88
Rot. Bonds

About (1R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-ol

(1R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-ol (PubChem CID 12647283) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (1R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-ol.

Molecular Properties

Compound Name(1R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-ol
PubChem CID12647283
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(1R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-ol
SMILESCC1(C)[C@H]2C=C(O)[C@]1(C)CC2
InChIInChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h6-7,11H,4-5H2,1-3H3/t7-,10+/m1/s1
InChIKeyQCSCVXPUXNDOGX-XCBNKYQSSA-N
XLogP2.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-ol?
The IUPAC name of (1R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-ol (CID 12647283) is (1R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-ol.
What is the SMILES notation for (1R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-ol?
The canonical SMILES for (1R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-ol is CC1(C)[C@H]2C=C(O)[C@]1(C)CC2.
What is the InChIKey of (1R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-ol?
The InChIKey is QCSCVXPUXNDOGX-XCBNKYQSSA-N. The full InChI is InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h6-7,11H,4-5H2,1-3H3/t7-,10+/m1/s1.
What are the key properties of (1R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-ol?
(1R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-ol has a molecular weight of 152.24 g/mol, XLogP of 2.88, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-ol is sourced from PubChem (CID 12647283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).