3-methyltetracyclo[4.2.0.01,7.03,5]octane

C9H12 — CID 163557052

IUPAC3-methyltetracyclo[4.2.0.01,7.03,5]octane
SMILESCC12CC1C1C3CC31C2
InChIInChI=1S/C9H12/c1-8-2-5(8)7-6-3-9(6,7)4-8/h5-7H,2-4H2,1H3
InChIKeyFNYWRENLZHJKNQ-UHFFFAOYSA-N
MW120.20 g/mol
LogP2.05
Rot. Bonds

About 3-methyltetracyclo[4.2.0.01,7.03,5]octane

3-methyltetracyclo[4.2.0.01,7.03,5]octane (PubChem CID 163557052) has the molecular formula C9H12 and a molecular weight of 120.20 g/mol. Its IUPAC name is 3-methyltetracyclo[4.2.0.01,7.03,5]octane.

Molecular Properties

Compound Name3-methyltetracyclo[4.2.0.01,7.03,5]octane
PubChem CID163557052
Molecular FormulaC9H12
Molecular Weight120.20 g/mol
Exact Mass120.09
IUPAC Name3-methyltetracyclo[4.2.0.01,7.03,5]octane
SMILESCC12CC1C1C3CC31C2
InChIInChI=1S/C9H12/c1-8-2-5(8)7-6-3-9(6,7)4-8/h5-7H,2-4H2,1H3
InChIKeyFNYWRENLZHJKNQ-UHFFFAOYSA-N
XLogP2.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.20
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9-methylhexacyclo[6.4.1.13,6.01,11.02,7.08,10]tetradecane
CID 91101429
1,3-dimethylbicyclo[2.1.0]pentane
CID 91176619
1,2,3,10,12-pentamethylpentacyclo[5.5.0.02,6.04,10.08,12]dodecane
CID 123405539
12-methyloctacyclo[11.4.1.01,15.02,5.04,7.04,16.06,11.09,12]octadecane
CID 123671310
(1R)-tetracyclo[4.2.0.01,7.03,5]octane
CID 148765284
4,7,9,12-tetramethyltetracyclo[7.3.1.14,12.02,7]tetradecane
CID 91570284
6-methyltricyclo[2.2.1.01,3]heptane
CID 123381875
1-methyltricyclo[2.1.0.02,5]pentane
CID 86129037
2,4,4-trimethyl-7-azatricyclo[4.3.0.02,9]nonane
CID 138599466
(3aR,7aR)-2,2,4,4,7,7-hexamethyl-1,3,3a,5,6,7a-hexahydroindene
CID 91731723
methyl 2-[6-(2-methoxy-2-oxoethyl)-3-tetracyclo[4.2.0.02,5.03,8]octanyl]acetate
CID 71193848
1-methylcyclopropane-1,2-diamine
CID 15182447

Frequently Asked Questions

What is the IUPAC name of 3-methyltetracyclo[4.2.0.01,7.03,5]octane?
The IUPAC name of 3-methyltetracyclo[4.2.0.01,7.03,5]octane (CID 163557052) is 3-methyltetracyclo[4.2.0.01,7.03,5]octane.
What is the SMILES notation for 3-methyltetracyclo[4.2.0.01,7.03,5]octane?
The canonical SMILES for 3-methyltetracyclo[4.2.0.01,7.03,5]octane is CC12CC1C1C3CC31C2.
What is the InChIKey of 3-methyltetracyclo[4.2.0.01,7.03,5]octane?
The InChIKey is FNYWRENLZHJKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12/c1-8-2-5(8)7-6-3-9(6,7)4-8/h5-7H,2-4H2,1H3.
What are the key properties of 3-methyltetracyclo[4.2.0.01,7.03,5]octane?
3-methyltetracyclo[4.2.0.01,7.03,5]octane has a molecular weight of 120.20 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyltetracyclo[4.2.0.01,7.03,5]octane is sourced from PubChem (CID 163557052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).