1,3-dimethyl-2-propylcycloheptane

C12H24 — CID 123611013

IUPAC1,3-dimethyl-2-propylcycloheptane
SMILESCCCC1C(C)CCCCC1C
InChIInChI=1S/C12H24/c1-4-7-12-10(2)8-5-6-9-11(12)3/h10-12H,4-9H2,1-3H3
InChIKeyMCHFITNJKMCBSR-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.25
Rot. Bonds2

About 1,3-dimethyl-2-propylcycloheptane

1,3-dimethyl-2-propylcycloheptane (PubChem CID 123611013) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 1,3-dimethyl-2-propylcycloheptane.

Molecular Properties

Compound Name1,3-dimethyl-2-propylcycloheptane
PubChem CID123611013
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name1,3-dimethyl-2-propylcycloheptane
SMILESCCCC1C(C)CCCCC1C
InChIInChI=1S/C12H24/c1-4-7-12-10(2)8-5-6-9-11(12)3/h10-12H,4-9H2,1-3H3
InChIKeyMCHFITNJKMCBSR-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

7-cyclononyl-1-methyl-3-(2-methylcyclohexyl)-2-propylcyclodecane
CID 58552791
(1R)-1-methyl-2,3-dipropylcyclopentane
CID 168721749
trans-(1R,3R)-2-ethyl-1,3-dimethylcyclohexane
CID 124506499
1,2-dimethylcyclohexane;ethane;propane
CID 142115318
1-methyl-3-propan-2-yl-2-propylcyclopentane
CID 123480438
(2,7-dimethylcycloheptyl)methanamine
CID 83905212
cis-(1R,2S)-1,2-dimethylcyclohexane;heptane
CID 142453951
cis-(1S,2R)-1,2-dipropylcyclohexane
CID 143217114
(1R,2R,5S,6S)-2-methyl-6-propylbicyclo[3.1.0]hexane
CID 58708477
2-ethyl-3-methylcycloheptan-1-amine
CID 139376160
(1S)-1-butyl-2-methylcyclohexane
CID 145054487
2-ethyl-1-methyl-4-propylcyclodecane
CID 123259333

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-propylcycloheptane?
The IUPAC name of 1,3-dimethyl-2-propylcycloheptane (CID 123611013) is 1,3-dimethyl-2-propylcycloheptane.
What is the SMILES notation for 1,3-dimethyl-2-propylcycloheptane?
The canonical SMILES for 1,3-dimethyl-2-propylcycloheptane is CCCC1C(C)CCCCC1C.
What is the InChIKey of 1,3-dimethyl-2-propylcycloheptane?
The InChIKey is MCHFITNJKMCBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-4-7-12-10(2)8-5-6-9-11(12)3/h10-12H,4-9H2,1-3H3.
What are the key properties of 1,3-dimethyl-2-propylcycloheptane?
1,3-dimethyl-2-propylcycloheptane has a molecular weight of 168.32 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-propylcycloheptane is sourced from PubChem (CID 123611013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).