4-methyl-2-propan-2-yltricyclo[6.1.0.03,5]nonane

C13H22 — CID 91310355

IUPAC4-methyl-2-propan-2-yltricyclo[6.1.0.03,5]nonane
SMILESCC(C)C1C2CC2CCC2C(C)C21
InChIInChI=1S/C13H22/c1-7(2)12-11-6-9(11)4-5-10-8(3)13(10)12/h7-13H,4-6H2,1-3H3
InChIKeySROZFXWBCRGCNQ-UHFFFAOYSA-N
MW178.32 g/mol
LogP3.57
Rot. Bonds1

About 4-methyl-2-propan-2-yltricyclo[6.1.0.03,5]nonane

4-methyl-2-propan-2-yltricyclo[6.1.0.03,5]nonane (PubChem CID 91310355) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 4-methyl-2-propan-2-yltricyclo[6.1.0.03,5]nonane.

Molecular Properties

Compound Name4-methyl-2-propan-2-yltricyclo[6.1.0.03,5]nonane
PubChem CID91310355
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name4-methyl-2-propan-2-yltricyclo[6.1.0.03,5]nonane
SMILESCC(C)C1C2CC2CCC2C(C)C21
InChIInChI=1S/C13H22/c1-7(2)12-11-6-9(11)4-5-10-8(3)13(10)12/h7-13H,4-6H2,1-3H3
InChIKeySROZFXWBCRGCNQ-UHFFFAOYSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-cyclopropyl-2,4-dimethyl-3-propan-2-ylcyclopentane
CID 123954813
(2R,3R)-2-methyl-3-propan-2-ylbicyclo[2.2.2]octane
CID 158984587
pentacyclo[7.4.1.02,8.03,6.010,13]tetradecane
CID 90749400
2-methyl-5-propan-2-ylbicyclo[2.1.0]pentane
CID 91265668
3-propan-2-yltricyclo[3.1.1.12,4]octane
CID 176821598
1,2-bis[2,3-bis(2,3-dicyclopropylcyclopropyl)cyclopropyl]-3-propan-2-ylcyclopropane
CID 153452162
pentacyclo[6.4.1.02,6.03,13.05,11]tridecane
CID 163947804
(3R)-2,3-dimethylbicyclo[3.2.0]heptane
CID 154561320
pentacyclo[9.3.1.15,8.02,14.03,10]hexadecane
CID 163955240
4-methyl-6-propan-2-yltetracyclo[7.2.1.02,8.03,5]dodecan-7-amine
CID 123233215
(1R,2R)-3-cyclopropyl-2-methylbicyclo[3.1.0]hexane
CID 163692624
(2S)-2-methylbicyclo[2.2.0]hexane
CID 174068638

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propan-2-yltricyclo[6.1.0.03,5]nonane?
The IUPAC name of 4-methyl-2-propan-2-yltricyclo[6.1.0.03,5]nonane (CID 91310355) is 4-methyl-2-propan-2-yltricyclo[6.1.0.03,5]nonane.
What is the SMILES notation for 4-methyl-2-propan-2-yltricyclo[6.1.0.03,5]nonane?
The canonical SMILES for 4-methyl-2-propan-2-yltricyclo[6.1.0.03,5]nonane is CC(C)C1C2CC2CCC2C(C)C21.
What is the InChIKey of 4-methyl-2-propan-2-yltricyclo[6.1.0.03,5]nonane?
The InChIKey is SROZFXWBCRGCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-7(2)12-11-6-9(11)4-5-10-8(3)13(10)12/h7-13H,4-6H2,1-3H3.
What are the key properties of 4-methyl-2-propan-2-yltricyclo[6.1.0.03,5]nonane?
4-methyl-2-propan-2-yltricyclo[6.1.0.03,5]nonane has a molecular weight of 178.32 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propan-2-yltricyclo[6.1.0.03,5]nonane is sourced from PubChem (CID 91310355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).