4,7-dimethyl-3-propan-2-yltetracyclo[4.2.0.02,5.03,8]octane

C13H20 — CID 171461401

IUPAC4,7-dimethyl-3-propan-2-yltetracyclo[4.2.0.02,5.03,8]octane
SMILESCC1C2C3C(C)C4(C(C)C)C1C2C34
InChIInChI=1S/C13H20/c1-5(2)13-7(4)9-8-6(3)11(13)10(8)12(9)13/h5-12H,1-4H3
InChIKeyMSXLXPZAYAQGAJ-UHFFFAOYSA-N
MW176.30 g/mol
LogP3.04
Rot. Bonds1

About 4,7-dimethyl-3-propan-2-yltetracyclo[4.2.0.02,5.03,8]octane

4,7-dimethyl-3-propan-2-yltetracyclo[4.2.0.02,5.03,8]octane (PubChem CID 171461401) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 4,7-dimethyl-3-propan-2-yltetracyclo[4.2.0.02,5.03,8]octane.

Molecular Properties

Compound Name4,7-dimethyl-3-propan-2-yltetracyclo[4.2.0.02,5.03,8]octane
PubChem CID171461401
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name4,7-dimethyl-3-propan-2-yltetracyclo[4.2.0.02,5.03,8]octane
SMILESCC1C2C3C(C)C4(C(C)C)C1C2C34
InChIInChI=1S/C13H20/c1-5(2)13-7(4)9-8-6(3)11(13)10(8)12(9)13/h5-12H,1-4H3
InChIKeyMSXLXPZAYAQGAJ-UHFFFAOYSA-N
XLogP3.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-3-propan-2-yltetracyclo[4.2.0.02,5.03,8]octane?
The IUPAC name of 4,7-dimethyl-3-propan-2-yltetracyclo[4.2.0.02,5.03,8]octane (CID 171461401) is 4,7-dimethyl-3-propan-2-yltetracyclo[4.2.0.02,5.03,8]octane.
What is the SMILES notation for 4,7-dimethyl-3-propan-2-yltetracyclo[4.2.0.02,5.03,8]octane?
The canonical SMILES for 4,7-dimethyl-3-propan-2-yltetracyclo[4.2.0.02,5.03,8]octane is CC1C2C3C(C)C4(C(C)C)C1C2C34.
What is the InChIKey of 4,7-dimethyl-3-propan-2-yltetracyclo[4.2.0.02,5.03,8]octane?
The InChIKey is MSXLXPZAYAQGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-5(2)13-7(4)9-8-6(3)11(13)10(8)12(9)13/h5-12H,1-4H3.
What are the key properties of 4,7-dimethyl-3-propan-2-yltetracyclo[4.2.0.02,5.03,8]octane?
4,7-dimethyl-3-propan-2-yltetracyclo[4.2.0.02,5.03,8]octane has a molecular weight of 176.30 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-3-propan-2-yltetracyclo[4.2.0.02,5.03,8]octane is sourced from PubChem (CID 171461401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).