(1R,3S,7R)-4-methyltricyclo[5.1.0.01,3]octane

C9H14 — CID 163918664

IUPAC(1R,3S,7R)-4-methyltricyclo[5.1.0.01,3]octane
SMILESCC1CC[C@@H]2C[C@@]23C[C@@H]13
InChIInChI=1S/C9H14/c1-6-2-3-7-4-9(7)5-8(6)9/h6-8H,2-5H2,1H3/t6?,7-,8+,9-/m1/s1
InChIKeyQYMSWVXXXWFJKK-XWKBEBHTSA-N
MW122.21 g/mol
LogP2.44
Rot. Bonds

About (1R,3S,7R)-4-methyltricyclo[5.1.0.01,3]octane

(1R,3S,7R)-4-methyltricyclo[5.1.0.01,3]octane (PubChem CID 163918664) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is (1R,3S,7R)-4-methyltricyclo[5.1.0.01,3]octane.

Molecular Properties

Compound Name(1R,3S,7R)-4-methyltricyclo[5.1.0.01,3]octane
PubChem CID163918664
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name(1R,3S,7R)-4-methyltricyclo[5.1.0.01,3]octane
SMILESCC1CC[C@@H]2C[C@@]23C[C@@H]13
InChIInChI=1S/C9H14/c1-6-2-3-7-4-9(7)5-8(6)9/h6-8H,2-5H2,1H3/t6?,7-,8+,9-/m1/s1
InChIKeyQYMSWVXXXWFJKK-XWKBEBHTSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

7-methyltricyclo[4.3.0.01,3]nonane
CID 123597135
azane;(5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 143055597
(1S,2S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 6429433
1-cyclopropylbicyclo[1.1.0]butane
CID 123925920
ethane;(2R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 142979252
ethane;(1R,2R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 142979197
1-(2,3,9-trimethyl-6-propan-2-ylcyclononyl)bicyclo[2.1.0]pentane
CID 123608076
3-methyltricyclo[3.3.0.01,4]octane
CID 123792229
1-cyclopropyl-1-ethyl-2-methylcyclopropane
CID 22389706
1,4,7,7a-tetramethyl-1,2,3,3a,4,5,6,7-octahydroindene
CID 90723342
(1S,4R,5R)-4,7,7-trimethyl-6-thiabicyclo[3.2.1]octane
CID 76956351
(1R,2R,5S,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-2-ol
CID 101222299

Frequently Asked Questions

What is the IUPAC name of (1R,3S,7R)-4-methyltricyclo[5.1.0.01,3]octane?
The IUPAC name of (1R,3S,7R)-4-methyltricyclo[5.1.0.01,3]octane (CID 163918664) is (1R,3S,7R)-4-methyltricyclo[5.1.0.01,3]octane.
What is the SMILES notation for (1R,3S,7R)-4-methyltricyclo[5.1.0.01,3]octane?
The canonical SMILES for (1R,3S,7R)-4-methyltricyclo[5.1.0.01,3]octane is CC1CC[C@@H]2C[C@@]23C[C@@H]13.
What is the InChIKey of (1R,3S,7R)-4-methyltricyclo[5.1.0.01,3]octane?
The InChIKey is QYMSWVXXXWFJKK-XWKBEBHTSA-N. The full InChI is InChI=1S/C9H14/c1-6-2-3-7-4-9(7)5-8(6)9/h6-8H,2-5H2,1H3/t6?,7-,8+,9-/m1/s1.
What are the key properties of (1R,3S,7R)-4-methyltricyclo[5.1.0.01,3]octane?
(1R,3S,7R)-4-methyltricyclo[5.1.0.01,3]octane has a molecular weight of 122.21 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,7R)-4-methyltricyclo[5.1.0.01,3]octane is sourced from PubChem (CID 163918664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).