3,4,9-trimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane

C17H26 — CID 14066993

IUPAC3,4,9-trimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
SMILESCC1C2C3CC4(C)CC5C3CC1(C)CC5C2C4
InChIInChI=1S/C17H26/c1-9-15-13-5-16(2)4-10-11(13)7-17(9,3)8-12(10)14(15)6-16/h9-15H,4-8H2,1-3H3
InChIKeyIIHIJFFJVXJMLC-UHFFFAOYSA-N
MW230.39 g/mol
LogP4.35
Rot. Bonds

About 3,4,9-trimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane

3,4,9-trimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane (PubChem CID 14066993) has the molecular formula C17H26 and a molecular weight of 230.39 g/mol. Its IUPAC name is 3,4,9-trimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane.

Molecular Properties

Compound Name3,4,9-trimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
PubChem CID14066993
Molecular FormulaC17H26
Molecular Weight230.39 g/mol
Exact Mass230.20
IUPAC Name3,4,9-trimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
SMILESCC1C2C3CC4(C)CC5C3CC1(C)CC5C2C4
InChIInChI=1S/C17H26/c1-9-15-13-5-16(2)4-10-11(13)7-17(9,3)8-12(10)14(15)6-16/h9-15H,4-8H2,1-3H3
InChIKeyIIHIJFFJVXJMLC-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,4,9-trimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
The IUPAC name of 3,4,9-trimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane (CID 14066993) is 3,4,9-trimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane.
What is the SMILES notation for 3,4,9-trimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
The canonical SMILES for 3,4,9-trimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane is CC1C2C3CC4(C)CC5C3CC1(C)CC5C2C4.
What is the InChIKey of 3,4,9-trimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
The InChIKey is IIHIJFFJVXJMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26/c1-9-15-13-5-16(2)4-10-11(13)7-17(9,3)8-12(10)14(15)6-16/h9-15H,4-8H2,1-3H3.
What are the key properties of 3,4,9-trimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
3,4,9-trimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane has a molecular weight of 230.39 g/mol, XLogP of 4.35, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,9-trimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane is sourced from PubChem (CID 14066993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).