(1R,3R,6R)-3,7,7-trimethylbicyclo[4.1.0]heptane

C10H18 — CID 98052623

IUPAC(1R,3R,6R)-3,7,7-trimethylbicyclo[4.1.0]heptane
SMILESC[C@@H]1CC[C@@H]2[C@@H](C1)C2(C)C
InChIInChI=1S/C10H18/c1-7-4-5-8-9(6-7)10(8,2)3/h7-9H,4-6H2,1-3H3/t7-,8-,9-/m1/s1
InChIKeyBWRHOYDPVJPXMF-IWSPIJDZSA-N
MW138.25 g/mol
LogP3.08
Rot. Bonds

About (1R,3R,6R)-3,7,7-trimethylbicyclo[4.1.0]heptane

(1R,3R,6R)-3,7,7-trimethylbicyclo[4.1.0]heptane (PubChem CID 98052623) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is (1R,3R,6R)-3,7,7-trimethylbicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(1R,3R,6R)-3,7,7-trimethylbicyclo[4.1.0]heptane
PubChem CID98052623
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name(1R,3R,6R)-3,7,7-trimethylbicyclo[4.1.0]heptane
SMILESC[C@@H]1CC[C@@H]2[C@@H](C1)C2(C)C
InChIInChI=1S/C10H18/c1-7-4-5-8-9(6-7)10(8,2)3/h7-9H,4-6H2,1-3H3/t7-,8-,9-/m1/s1
InChIKeyBWRHOYDPVJPXMF-IWSPIJDZSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Carane
CID 79043
Bicyclo(4.1.0)heptane, 3,7,7-trimethyl-, (1alpha,3alpha,6alpha)-
CID 12302439
Tetracyclo(6.1.0.02,4.05,7)nonane, 3,3,6,6,9,9-hexamethyl-, (1alpha,2alpha,4alpha,5beta,7beta,8alpha)-
CID 142890
1-Methylbicyclo(4.1.0)heptane
CID 137602
Bicyclo[4.1.0]heptane, 3-methyl-
CID 557049
2,4a,8,8-Tetramethyldecahydrocyclopropa[d]naphthalene
CID 579617
cis-Carane
CID 12302437
Aristolane
CID 6857473
Bicyclo(4.1.0)heptane, 3-cyclopropyl-
CID 548827
1,4,4-Trimethyltricyclo[5.1.0.03,5]octane
CID 14568303
1-Methylspiro[2.5]octane
CID 9989273
7,7-Dimethylbicyclo(4.1.0)heptane
CID 11815353

Frequently Asked Questions

What is the IUPAC name of (1R,3R,6R)-3,7,7-trimethylbicyclo[4.1.0]heptane?
The IUPAC name of (1R,3R,6R)-3,7,7-trimethylbicyclo[4.1.0]heptane (CID 98052623) is (1R,3R,6R)-3,7,7-trimethylbicyclo[4.1.0]heptane.
What is the SMILES notation for (1R,3R,6R)-3,7,7-trimethylbicyclo[4.1.0]heptane?
The canonical SMILES for (1R,3R,6R)-3,7,7-trimethylbicyclo[4.1.0]heptane is C[C@@H]1CC[C@@H]2[C@@H](C1)C2(C)C.
What is the InChIKey of (1R,3R,6R)-3,7,7-trimethylbicyclo[4.1.0]heptane?
The InChIKey is BWRHOYDPVJPXMF-IWSPIJDZSA-N. The full InChI is InChI=1S/C10H18/c1-7-4-5-8-9(6-7)10(8,2)3/h7-9H,4-6H2,1-3H3/t7-,8-,9-/m1/s1.
What are the key properties of (1R,3R,6R)-3,7,7-trimethylbicyclo[4.1.0]heptane?
(1R,3R,6R)-3,7,7-trimethylbicyclo[4.1.0]heptane has a molecular weight of 138.25 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 (1R,3R,6R)-3,7,7-trimethylbicyclo[4.1.0]heptane is sourced from PubChem (CID 98052623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).