1,4,9-trimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane

C17H26 — CID 14066992

IUPAC1,4,9-trimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
SMILESCC12CC3C4CC5(C)CC3C(C1)C(C)(C5)C4C2
InChIInChI=1S/C17H26/c1-15-4-10-11-5-16(2)6-12(10)14(8-15)17(3,9-16)13(11)7-15/h10-14H,4-9H2,1-3H3
InChIKeyDBFQDOIRGZOCKR-UHFFFAOYSA-N
MW230.39 g/mol
LogP4.49
Rot. Bonds

About 1,4,9-trimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane

1,4,9-trimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane (PubChem CID 14066992) has the molecular formula C17H26 and a molecular weight of 230.39 g/mol. Its IUPAC name is 1,4,9-trimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane.

Molecular Properties

Compound Name1,4,9-trimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
PubChem CID14066992
Molecular FormulaC17H26
Molecular Weight230.39 g/mol
Exact Mass230.20
IUPAC Name1,4,9-trimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
SMILESCC12CC3C4CC5(C)CC3C(C1)C(C)(C5)C4C2
InChIInChI=1S/C17H26/c1-15-4-10-11-5-16(2)6-12(10)14(8-15)17(3,9-16)13(11)7-15/h10-14H,4-9H2,1-3H3
InChIKeyDBFQDOIRGZOCKR-UHFFFAOYSA-N
XLogP4.49
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 ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,4,9-trimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
The IUPAC name of 1,4,9-trimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane (CID 14066992) is 1,4,9-trimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane.
What is the SMILES notation for 1,4,9-trimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
The canonical SMILES for 1,4,9-trimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane is CC12CC3C4CC5(C)CC3C(C1)C(C)(C5)C4C2.
What is the InChIKey of 1,4,9-trimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
The InChIKey is DBFQDOIRGZOCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26/c1-15-4-10-11-5-16(2)6-12(10)14(8-15)17(3,9-16)13(11)7-15/h10-14H,4-9H2,1-3H3.
What are the key properties of 1,4,9-trimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
1,4,9-trimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane has a molecular weight of 230.39 g/mol, XLogP of 4.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,9-trimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane is sourced from PubChem (CID 14066992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).