4,6-dimethyl-3-propan-2-yltricyclo[4.1.1.12,4]nonane

C14H24 — CID 123690963

IUPAC4,6-dimethyl-3-propan-2-yltricyclo[4.1.1.12,4]nonane
SMILESCC(C)C1C2CC1(C)CC1(C)CC2C1
InChIInChI=1S/C14H24/c1-9(2)12-11-7-14(12,4)8-13(3)5-10(11)6-13/h9-12H,5-8H2,1-4H3
InChIKeyGCQQARQRKRQUFS-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.10
Rot. Bonds1

About 4,6-dimethyl-3-propan-2-yltricyclo[4.1.1.12,4]nonane

4,6-dimethyl-3-propan-2-yltricyclo[4.1.1.12,4]nonane (PubChem CID 123690963) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 4,6-dimethyl-3-propan-2-yltricyclo[4.1.1.12,4]nonane.

Molecular Properties

Compound Name4,6-dimethyl-3-propan-2-yltricyclo[4.1.1.12,4]nonane
PubChem CID123690963
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name4,6-dimethyl-3-propan-2-yltricyclo[4.1.1.12,4]nonane
SMILESCC(C)C1C2CC1(C)CC1(C)CC2C1
InChIInChI=1S/C14H24/c1-9(2)12-11-7-14(12,4)8-13(3)5-10(11)6-13/h9-12H,5-8H2,1-4H3
InChIKeyGCQQARQRKRQUFS-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3-propan-2-yltricyclo[4.1.1.12,4]nonane?
The IUPAC name of 4,6-dimethyl-3-propan-2-yltricyclo[4.1.1.12,4]nonane (CID 123690963) is 4,6-dimethyl-3-propan-2-yltricyclo[4.1.1.12,4]nonane.
What is the SMILES notation for 4,6-dimethyl-3-propan-2-yltricyclo[4.1.1.12,4]nonane?
The canonical SMILES for 4,6-dimethyl-3-propan-2-yltricyclo[4.1.1.12,4]nonane is CC(C)C1C2CC1(C)CC1(C)CC2C1.
What is the InChIKey of 4,6-dimethyl-3-propan-2-yltricyclo[4.1.1.12,4]nonane?
The InChIKey is GCQQARQRKRQUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-9(2)12-11-7-14(12,4)8-13(3)5-10(11)6-13/h9-12H,5-8H2,1-4H3.
What are the key properties of 4,6-dimethyl-3-propan-2-yltricyclo[4.1.1.12,4]nonane?
4,6-dimethyl-3-propan-2-yltricyclo[4.1.1.12,4]nonane has a molecular weight of 192.35 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-3-propan-2-yltricyclo[4.1.1.12,4]nonane is sourced from PubChem (CID 123690963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).