1-methyltricyclo[4.2.0.03,8]octane

C9H14 — CID 146747804

IUPAC1-methyltricyclo[4.2.0.03,8]octane
SMILESCC12CC3CCC1CC32
InChIInChI=1S/C9H14/c1-9-5-6-2-3-7(9)4-8(6)9/h6-8H,2-5H2,1H3
InChIKeySVSUWNAKQHBGJH-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.44
Rot. Bonds

About 1-methyltricyclo[4.2.0.03,8]octane

1-methyltricyclo[4.2.0.03,8]octane (PubChem CID 146747804) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 1-methyltricyclo[4.2.0.03,8]octane.

Molecular Properties

Compound Name1-methyltricyclo[4.2.0.03,8]octane
PubChem CID146747804
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name1-methyltricyclo[4.2.0.03,8]octane
SMILESCC12CC3CCC1CC32
InChIInChI=1S/C9H14/c1-9-5-6-2-3-7(9)4-8(6)9/h6-8H,2-5H2,1H3
InChIKeySVSUWNAKQHBGJH-UHFFFAOYSA-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

(2R,6S)-2-methyltricyclo[5.2.1.02,6]decane
CID 58931798
2-cyclopropyl-2-methylbicyclo[3.2.0]heptane
CID 149005122
2-cyclopropyl-2-methylbicyclo[3.2.0]heptane;ethane
CID 168971709
4a,7,7-trimethyl-1,2,3,4,4b,5,6,8,8a,9,10,10a-dodecahydrophenanthrene
CID 176713715
(4aS,6aR,7aS,10aS,11aR,11bR)-7a,11b-dimethyl-1,2,3,4,4a,5,6,6a,7,9,10,10a,11,11a-tetradecahydrocyclopenta[b]phenanthren-8-one
CID 122676879
(2R,4aS,4bS,6R,8aS,10aS)-2,4a,7,7-tetramethyl-3,4,4b,5,6,8,8a,9,10,10a-decahydro-1H-phenanthrene-2,6-diol
CID 166929960
(4aR,6aR,7aS,10aS,11aR,11bR)-7a,11b-dimethyl-2,4,4a,5,6,6a,7,9,10,10a,11,11a-dodecahydro-1H-cyclopenta[b]phenanthrene-3,8-dione
CID 90388246
2-methylbicyclo[2.2.0]hexan-2-amine
CID 123842739
(1S,3R,4R)-2,2,3-trimethylbicyclo[2.2.1]heptane
CID 14744268
(2S,3S,8R,9S,10S,13S,14S,16R,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,3,16,17-tetrol
CID 69044732
(2R,3R,5S,8S,9S,10S,13S,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,3-diol
CID 52947587
bis[(2S,4aR,4bR,8aS,10aS)-4a-methyl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydro-1H-phenanthren-2-yl] sulfate
CID 130339175

Frequently Asked Questions

What is the IUPAC name of 1-methyltricyclo[4.2.0.03,8]octane?
The IUPAC name of 1-methyltricyclo[4.2.0.03,8]octane (CID 146747804) is 1-methyltricyclo[4.2.0.03,8]octane.
What is the SMILES notation for 1-methyltricyclo[4.2.0.03,8]octane?
The canonical SMILES for 1-methyltricyclo[4.2.0.03,8]octane is CC12CC3CCC1CC32.
What is the InChIKey of 1-methyltricyclo[4.2.0.03,8]octane?
The InChIKey is SVSUWNAKQHBGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-9-5-6-2-3-7(9)4-8(6)9/h6-8H,2-5H2,1H3.
What are the key properties of 1-methyltricyclo[4.2.0.03,8]octane?
1-methyltricyclo[4.2.0.03,8]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 1-methyltricyclo[4.2.0.03,8]octane is sourced from PubChem (CID 146747804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).