(1S,2R,4S,6R)-2,7,7-trimethyltricyclo[4.1.1.02,4]octane

C11H18 — CID 13468514

IUPAC(1S,2R,4S,6R)-2,7,7-trimethyltricyclo[4.1.1.02,4]octane
SMILESCC1(C)[C@@H]2C[C@H]3C[C@@]3(C)[C@H]1C2
InChIInChI=1S/C11H18/c1-10(2)7-4-8-6-11(8,3)9(10)5-7/h7-9H,4-6H2,1-3H3/t7-,8+,9+,11-/m1/s1
InChIKeyGEQMFRCCAZCZMF-UYAYMFIHSA-N
MW150.27 g/mol
LogP3.08
Rot. Bonds

About (1S,2R,4S,6R)-2,7,7-trimethyltricyclo[4.1.1.02,4]octane

(1S,2R,4S,6R)-2,7,7-trimethyltricyclo[4.1.1.02,4]octane (PubChem CID 13468514) has the molecular formula C11H18 and a molecular weight of 150.27 g/mol. Its IUPAC name is (1S,2R,4S,6R)-2,7,7-trimethyltricyclo[4.1.1.02,4]octane.

Molecular Properties

Compound Name(1S,2R,4S,6R)-2,7,7-trimethyltricyclo[4.1.1.02,4]octane
PubChem CID13468514
Molecular FormulaC11H18
Molecular Weight150.27 g/mol
Exact Mass150.14
IUPAC Name(1S,2R,4S,6R)-2,7,7-trimethyltricyclo[4.1.1.02,4]octane
SMILESCC1(C)[C@@H]2C[C@H]3C[C@@]3(C)[C@H]1C2
InChIInChI=1S/C11H18/c1-10(2)7-4-8-6-11(8,3)9(10)5-7/h7-9H,4-6H2,1-3H3/t7-,8+,9+,11-/m1/s1
InChIKeyGEQMFRCCAZCZMF-UYAYMFIHSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.27
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (1S,2R,4S,6R)-2,7,7-trimethyltricyclo[4.1.1.02,4]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pinane
CID 10129
Pinane, cis-(+)-
CID 10953595
cis-Pinane
CID 10969850
(1S,5S)-2,6,6-Trimethylbicyclo[3.1.1]heptane
CID 17755566
(+-)-cis-Pinane
CID 6429433
(1R,2R,5R)-2,6,6-Trimethylbicyclo[3.1.1]heptane
CID 11051725
Carane
CID 79043
Bicyclo(3.1.1)heptane, 2,6,6-trimethyl-, (1alpha,2beta,5alpha)-
CID 12314300
Bicyclo(4.1.0)heptane, 3,7,7-trimethyl-, (1alpha,3alpha,6alpha)-
CID 12302439
2,4a,8,8-Tetramethyldecahydrocyclopropa[d]naphthalene
CID 579617
2,6,6-Trimethyl-bicyclo(3.1.1)heptane, trans
CID 91015300
cis-Carane
CID 12302437

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4S,6R)-2,7,7-trimethyltricyclo[4.1.1.02,4]octane?
The IUPAC name of (1S,2R,4S,6R)-2,7,7-trimethyltricyclo[4.1.1.02,4]octane (CID 13468514) is (1S,2R,4S,6R)-2,7,7-trimethyltricyclo[4.1.1.02,4]octane.
What is the SMILES notation for (1S,2R,4S,6R)-2,7,7-trimethyltricyclo[4.1.1.02,4]octane?
The canonical SMILES for (1S,2R,4S,6R)-2,7,7-trimethyltricyclo[4.1.1.02,4]octane is CC1(C)[C@@H]2C[C@H]3C[C@@]3(C)[C@H]1C2.
What is the InChIKey of (1S,2R,4S,6R)-2,7,7-trimethyltricyclo[4.1.1.02,4]octane?
The InChIKey is GEQMFRCCAZCZMF-UYAYMFIHSA-N. The full InChI is InChI=1S/C11H18/c1-10(2)7-4-8-6-11(8,3)9(10)5-7/h7-9H,4-6H2,1-3H3/t7-,8+,9+,11-/m1/s1.
What are the key properties of (1S,2R,4S,6R)-2,7,7-trimethyltricyclo[4.1.1.02,4]octane?
(1S,2R,4S,6R)-2,7,7-trimethyltricyclo[4.1.1.02,4]octane has a molecular weight of 150.27 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4S,6R)-2,7,7-trimethyltricyclo[4.1.1.02,4]octane is sourced from PubChem (CID 13468514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).