1,1-dimethyl-3-propylcyclobutane

C9H18 — CID 19073360

IUPAC1,1-dimethyl-3-propylcyclobutane
SMILESCCCC1CC(C)(C)C1
InChIInChI=1S/C9H18/c1-4-5-8-6-9(2,3)7-8/h8H,4-7H2,1-3H3
InChIKeyQTNMZBOJVPSBSK-UHFFFAOYSA-N
MW126.24 g/mol
LogP3.22
Rot. Bonds2

About 1,1-dimethyl-3-propylcyclobutane

1,1-dimethyl-3-propylcyclobutane (PubChem CID 19073360) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is 1,1-dimethyl-3-propylcyclobutane.

Molecular Properties

Compound Name1,1-dimethyl-3-propylcyclobutane
PubChem CID19073360
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Name1,1-dimethyl-3-propylcyclobutane
SMILESCCCC1CC(C)(C)C1
InChIInChI=1S/C9H18/c1-4-5-8-6-9(2,3)7-8/h8H,4-7H2,1-3H3
InChIKeyQTNMZBOJVPSBSK-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.24
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

cis-(1S,2R)-1,2-diethyl-1,2-dimethyl-4-propylcyclopentane
CID 143682389
3-propylcyclobutane-1,1-diol
CID 18328679
1-methyl-1-propan-2-yl-3-propylcyclobutane
CID 91462890
1,1-bis(methoxymethyl)-3-propylcyclobutane
CID 141062334
(1-phosphono-3-propylcyclobutyl)phosphonic acid
CID 19821558
1,1-dimethyl-4-propylcyclotridecane
CID 123608299
(7R)-7-methyl-2-propylspiro[3.4]octane
CID 167622159
4-decyl-1,1,2,2-tetramethylcyclopentane
CID 151279869
4-propyl-4,5-dihydro-3H-pyrazole
CID 123289792
ethane;propane;propylcyclopropane
CID 145406182
N-(2,2-dimethylcyclopropyl)-4-propylcyclohexan-1-amine
CID 61223206
1-ethyl-1-methyl-2-propylcyclopropane
CID 72514753

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-propylcyclobutane?
The IUPAC name of 1,1-dimethyl-3-propylcyclobutane (CID 19073360) is 1,1-dimethyl-3-propylcyclobutane.
What is the SMILES notation for 1,1-dimethyl-3-propylcyclobutane?
The canonical SMILES for 1,1-dimethyl-3-propylcyclobutane is CCCC1CC(C)(C)C1.
What is the InChIKey of 1,1-dimethyl-3-propylcyclobutane?
The InChIKey is QTNMZBOJVPSBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18/c1-4-5-8-6-9(2,3)7-8/h8H,4-7H2,1-3H3.
What are the key properties of 1,1-dimethyl-3-propylcyclobutane?
1,1-dimethyl-3-propylcyclobutane has a molecular weight of 126.24 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-propylcyclobutane is sourced from PubChem (CID 19073360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).