1-methyl-5-propan-2-ylbicyclo[3.3.2]decane

C14H26 — CID 171426814

IUPAC1-methyl-5-propan-2-ylbicyclo[3.3.2]decane
SMILESCC(C)C12CCCC(C)(CCC1)CC2
InChIInChI=1S/C14H26/c1-12(2)14-8-4-6-13(3,10-11-14)7-5-9-14/h12H,4-11H2,1-3H3
InChIKeyGPTRCSYPQIHKFQ-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.78
Rot. Bonds1

About 1-methyl-5-propan-2-ylbicyclo[3.3.2]decane

1-methyl-5-propan-2-ylbicyclo[3.3.2]decane (PubChem CID 171426814) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 1-methyl-5-propan-2-ylbicyclo[3.3.2]decane.

Molecular Properties

Compound Name1-methyl-5-propan-2-ylbicyclo[3.3.2]decane
PubChem CID171426814
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name1-methyl-5-propan-2-ylbicyclo[3.3.2]decane
SMILESCC(C)C12CCCC(C)(CCC1)CC2
InChIInChI=1S/C14H26/c1-12(2)14-8-4-6-13(3,10-11-14)7-5-9-14/h12H,4-11H2,1-3H3
InChIKeyGPTRCSYPQIHKFQ-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-propan-2-ylbicyclo[3.3.2]decane?
The IUPAC name of 1-methyl-5-propan-2-ylbicyclo[3.3.2]decane (CID 171426814) is 1-methyl-5-propan-2-ylbicyclo[3.3.2]decane.
What is the SMILES notation for 1-methyl-5-propan-2-ylbicyclo[3.3.2]decane?
The canonical SMILES for 1-methyl-5-propan-2-ylbicyclo[3.3.2]decane is CC(C)C12CCCC(C)(CCC1)CC2.
What is the InChIKey of 1-methyl-5-propan-2-ylbicyclo[3.3.2]decane?
The InChIKey is GPTRCSYPQIHKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-12(2)14-8-4-6-13(3,10-11-14)7-5-9-14/h12H,4-11H2,1-3H3.
What are the key properties of 1-methyl-5-propan-2-ylbicyclo[3.3.2]decane?
1-methyl-5-propan-2-ylbicyclo[3.3.2]decane has a molecular weight of 194.36 g/mol, XLogP of 4.78, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-propan-2-ylbicyclo[3.3.2]decane is sourced from PubChem (CID 171426814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).