1-methyl-3-(1-methylcyclobutyl)-2-propan-2-ylcyclopentane

C14H26 — CID 123755207

IUPAC1-methyl-3-(1-methylcyclobutyl)-2-propan-2-ylcyclopentane
SMILESCC(C)C1C(C)CCC1C1(C)CCC1
InChIInChI=1S/C14H26/c1-10(2)13-11(3)6-7-12(13)14(4)8-5-9-14/h10-13H,5-9H2,1-4H3
InChIKeyKDUXNTAPKXVHAX-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.49
Rot. Bonds2

About 1-methyl-3-(1-methylcyclobutyl)-2-propan-2-ylcyclopentane

1-methyl-3-(1-methylcyclobutyl)-2-propan-2-ylcyclopentane (PubChem CID 123755207) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 1-methyl-3-(1-methylcyclobutyl)-2-propan-2-ylcyclopentane.

Molecular Properties

Compound Name1-methyl-3-(1-methylcyclobutyl)-2-propan-2-ylcyclopentane
PubChem CID123755207
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name1-methyl-3-(1-methylcyclobutyl)-2-propan-2-ylcyclopentane
SMILESCC(C)C1C(C)CCC1C1(C)CCC1
InChIInChI=1S/C14H26/c1-10(2)13-11(3)6-7-12(13)14(4)8-5-9-14/h10-13H,5-9H2,1-4H3
InChIKeyKDUXNTAPKXVHAX-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(3R,4aS,5R,8aS)-5,8a-dimethyl-3-propan-2-yl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
CID 154723915
ethane;3,6,6-trimethyl-2-propan-2-ylbicyclo[3.1.1]heptane
CID 163598600
(1S,2R,4R,5S,6S,7S)-2,8-dimethyl-5-propan-2-yltricyclo[4.4.0.02,7]decan-4-ol
CID 177479202
(1R)-1-methyl-2-propan-2-ylcyclobutane
CID 158704963
N,3-dimethyl-2-propan-2-ylcyclopentan-1-amine
CID 123913499
2-butan-2-yl-1,3-dimethylcyclopentane
CID 90760041
1-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)-4-propylcyclohexane
CID 173039410
(2S)-2-[(2S,4aR,8R,8aR)-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]propanoic acid
CID 125486424
1-ethyl-3-methyl-2-propan-2-ylcyclohexane
CID 20695087
1-methyl-1-(2-propan-2-ylcyclopropyl)cyclopropane
CID 123525117
(1R,3aR,4S,5aR,8aS,10aS,10bR,10cS)-1,4,5a,8a-tetramethyl-2,3,3a,5,6,7,8,9,10,10a,10b,10c-dodecahydro-1H-pyren-4-ol
CID 132526302
(1S,3R,4R,8S,11S,12R)-4,8,12,15,15-pentamethyltricyclo[9.3.1.03,8]pentadecane;hydrate
CID 68845775

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1-methylcyclobutyl)-2-propan-2-ylcyclopentane?
The IUPAC name of 1-methyl-3-(1-methylcyclobutyl)-2-propan-2-ylcyclopentane (CID 123755207) is 1-methyl-3-(1-methylcyclobutyl)-2-propan-2-ylcyclopentane.
What is the SMILES notation for 1-methyl-3-(1-methylcyclobutyl)-2-propan-2-ylcyclopentane?
The canonical SMILES for 1-methyl-3-(1-methylcyclobutyl)-2-propan-2-ylcyclopentane is CC(C)C1C(C)CCC1C1(C)CCC1.
What is the InChIKey of 1-methyl-3-(1-methylcyclobutyl)-2-propan-2-ylcyclopentane?
The InChIKey is KDUXNTAPKXVHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-10(2)13-11(3)6-7-12(13)14(4)8-5-9-14/h10-13H,5-9H2,1-4H3.
What are the key properties of 1-methyl-3-(1-methylcyclobutyl)-2-propan-2-ylcyclopentane?
1-methyl-3-(1-methylcyclobutyl)-2-propan-2-ylcyclopentane has a molecular weight of 194.36 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-methyl-3-(1-methylcyclobutyl)-2-propan-2-ylcyclopentane is sourced from PubChem (CID 123755207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).