1-ethyl-3,4-dimethyl-1-propan-2-ylcyclohexane

C13H26 — CID 91374055

IUPAC1-ethyl-3,4-dimethyl-1-propan-2-ylcyclohexane
SMILESCCC1(C(C)C)CCC(C)C(C)C1
InChIInChI=1S/C13H26/c1-6-13(10(2)3)8-7-11(4)12(5)9-13/h10-12H,6-9H2,1-5H3
InChIKeyPPBCGTKSMVZGDJ-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.49
Rot. Bonds2

About 1-ethyl-3,4-dimethyl-1-propan-2-ylcyclohexane

1-ethyl-3,4-dimethyl-1-propan-2-ylcyclohexane (PubChem CID 91374055) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 1-ethyl-3,4-dimethyl-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Name1-ethyl-3,4-dimethyl-1-propan-2-ylcyclohexane
PubChem CID91374055
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name1-ethyl-3,4-dimethyl-1-propan-2-ylcyclohexane
SMILESCCC1(C(C)C)CCC(C)C(C)C1
InChIInChI=1S/C13H26/c1-6-13(10(2)3)8-7-11(4)12(5)9-13/h10-12H,6-9H2,1-5H3
InChIKeyPPBCGTKSMVZGDJ-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-1-propan-2-ylcyclopropane
CID 22977902
ethane;1,3,4-trimethyl-1-propan-2-ylcyclohexane
CID 177218946
3,4-dimethyl-1-propan-2-ylcyclohexan-1-amine
CID 64733574
1-hexan-2-yl-3,4-dimethyl-1-propan-2-ylcyclohexane
CID 123569728
1-ethyl-3-methyl-1-(2-methylpentan-3-yl)cyclopentane
CID 123692512
3,4-dimethyl-1-pentan-2-ylcyclohexan-1-amine
CID 107892409
(1S,3S,4R)-1,3,4-trimethylcyclohexan-1-amine
CID 124508954
(4-ethyl-4-propan-2-ylcyclohexyl) acetate
CID 146244844
(3-ethyl-1-propan-2-ylcyclopentyl)methanamine
CID 130515064
(1R,4S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexane
CID 11983968
ethane;4-ethyl-4-propan-2-yloxane
CID 177350688
[(1S,3R,4R)-1,3,4-trimethylcyclohexyl]methanol
CID 129322383

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,4-dimethyl-1-propan-2-ylcyclohexane?
The IUPAC name of 1-ethyl-3,4-dimethyl-1-propan-2-ylcyclohexane (CID 91374055) is 1-ethyl-3,4-dimethyl-1-propan-2-ylcyclohexane.
What is the SMILES notation for 1-ethyl-3,4-dimethyl-1-propan-2-ylcyclohexane?
The canonical SMILES for 1-ethyl-3,4-dimethyl-1-propan-2-ylcyclohexane is CCC1(C(C)C)CCC(C)C(C)C1.
What is the InChIKey of 1-ethyl-3,4-dimethyl-1-propan-2-ylcyclohexane?
The InChIKey is PPBCGTKSMVZGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-6-13(10(2)3)8-7-11(4)12(5)9-13/h10-12H,6-9H2,1-5H3.
What are the key properties of 1-ethyl-3,4-dimethyl-1-propan-2-ylcyclohexane?
1-ethyl-3,4-dimethyl-1-propan-2-ylcyclohexane has a molecular weight of 182.35 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,4-dimethyl-1-propan-2-ylcyclohexane is sourced from PubChem (CID 91374055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).