cis-(1S,2R)-1-methyl-2-(2,3,4-trimethylpent-3-en-2-yl)cyclopentane

C14H26 — CID 59941438

IUPACcis-(1S,2R)-1-methyl-2-(2,3,4-trimethylpent-3-en-2-yl)cyclopentane
SMILESCC(C)=C(C)C(C)(C)[C@@H]1CCC[C@@H]1C
InChIInChI=1S/C14H26/c1-10(2)12(4)14(5,6)13-9-7-8-11(13)3/h11,13H,7-9H2,1-6H3/t11-,13+/m0/s1
InChIKeyZCOJVMLVUZUPPW-WCQYABFASA-N
MW194.36 g/mol
LogP4.81
Rot. Bonds2

About cis-(1S,2R)-1-methyl-2-(2,3,4-trimethylpent-3-en-2-yl)cyclopentane

cis-(1S,2R)-1-methyl-2-(2,3,4-trimethylpent-3-en-2-yl)cyclopentane (PubChem CID 59941438) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is cis-(1S,2R)-1-methyl-2-(2,3,4-trimethylpent-3-en-2-yl)cyclopentane.

Molecular Properties

Compound Namecis-(1S,2R)-1-methyl-2-(2,3,4-trimethylpent-3-en-2-yl)cyclopentane
PubChem CID59941438
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Namecis-(1S,2R)-1-methyl-2-(2,3,4-trimethylpent-3-en-2-yl)cyclopentane
SMILESCC(C)=C(C)C(C)(C)[C@@H]1CCC[C@@H]1C
InChIInChI=1S/C14H26/c1-10(2)12(4)14(5,6)13-9-7-8-11(13)3/h11,13H,7-9H2,1-6H3/t11-,13+/m0/s1
InChIKeyZCOJVMLVUZUPPW-WCQYABFASA-N
XLogP4.81
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 ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

beta-Patchoulene
CID 101731
Trichodiene
CID 114857
alpha-Bulnesene
CID 94275
(1S-(1alpha,4alpha,7alpha))-1,2,3,4,5,6,7,8-Octahydro-1,4,9,9-tetramethyl-4,7-methanoazulene
CID 12313993
Delta(6)-protoilludene
CID 15939655
3,8-Dimethyl-5-(prop-1-en-2-yl)-1,2,3,3a,4,5,6,7-octahydroazulene
CID 520826
Premnaspirodiene
CID 14355861
Viridiflorene
CID 10910653
I2-Araneosene
CID 11701776
alpha-Acoradiene
CID 90351
beta-Acoradiene
CID 20055537
Bazzanene
CID 179421

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-1-methyl-2-(2,3,4-trimethylpent-3-en-2-yl)cyclopentane?
The IUPAC name of cis-(1S,2R)-1-methyl-2-(2,3,4-trimethylpent-3-en-2-yl)cyclopentane (CID 59941438) is cis-(1S,2R)-1-methyl-2-(2,3,4-trimethylpent-3-en-2-yl)cyclopentane.
What is the SMILES notation for cis-(1S,2R)-1-methyl-2-(2,3,4-trimethylpent-3-en-2-yl)cyclopentane?
The canonical SMILES for cis-(1S,2R)-1-methyl-2-(2,3,4-trimethylpent-3-en-2-yl)cyclopentane is CC(C)=C(C)C(C)(C)[C@@H]1CCC[C@@H]1C.
What is the InChIKey of cis-(1S,2R)-1-methyl-2-(2,3,4-trimethylpent-3-en-2-yl)cyclopentane?
The InChIKey is ZCOJVMLVUZUPPW-WCQYABFASA-N. The full InChI is InChI=1S/C14H26/c1-10(2)12(4)14(5,6)13-9-7-8-11(13)3/h11,13H,7-9H2,1-6H3/t11-,13+/m0/s1.
What are the key properties of cis-(1S,2R)-1-methyl-2-(2,3,4-trimethylpent-3-en-2-yl)cyclopentane?
cis-(1S,2R)-1-methyl-2-(2,3,4-trimethylpent-3-en-2-yl)cyclopentane has a molecular weight of 194.36 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-1-methyl-2-(2,3,4-trimethylpent-3-en-2-yl)cyclopentane is sourced from PubChem (CID 59941438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).