trans-(3R,4S)-3-ethenyl-1,1-dimethyl-4-(3-methylbut-3-enyl)cyclopentane

C14H24 — CID 135014432

IUPACtrans-(3R,4S)-3-ethenyl-1,1-dimethyl-4-(3-methylbut-3-enyl)cyclopentane
SMILESC=C[C@H]1CC(C)(C)C[C@@H]1CCC(=C)C
InChIInChI=1S/C14H24/c1-6-12-9-14(4,5)10-13(12)8-7-11(2)3/h6,12-13H,1-2,7-10H2,3-5H3/t12-,13-/m0/s1
InChIKeyIUXJPHXXDVCISZ-STQMWFEESA-N
MW192.35 g/mol
LogP4.58
Rot. Bonds4

About trans-(3R,4S)-3-ethenyl-1,1-dimethyl-4-(3-methylbut-3-enyl)cyclopentane

trans-(3R,4S)-3-ethenyl-1,1-dimethyl-4-(3-methylbut-3-enyl)cyclopentane (PubChem CID 135014432) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is trans-(3R,4S)-3-ethenyl-1,1-dimethyl-4-(3-methylbut-3-enyl)cyclopentane.

Molecular Properties

Compound Nametrans-(3R,4S)-3-ethenyl-1,1-dimethyl-4-(3-methylbut-3-enyl)cyclopentane
PubChem CID135014432
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Nametrans-(3R,4S)-3-ethenyl-1,1-dimethyl-4-(3-methylbut-3-enyl)cyclopentane
SMILESC=C[C@H]1CC(C)(C)C[C@@H]1CCC(=C)C
InChIInChI=1S/C14H24/c1-6-12-9-14(4,5)10-13(12)8-7-11(2)3/h6,12-13H,1-2,7-10H2,3-5H3/t12-,13-/m0/s1
InChIKeyIUXJPHXXDVCISZ-STQMWFEESA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.58
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

alpha-Fenchene
CID 28930
Premnaspirodiene
CID 14355861
alpha-Acoradiene
CID 90351
beta-Acoradiene
CID 20055537
(3S,5R,6R)-6,10-dimethyl-3-prop-1-en-2-ylspiro[4.5]dec-9-ene
CID 90658578
alpha-Alaskene
CID 6428487
(1R,4R,5S)-1,8-Dimethyl-4-(prop-1-en-2-yl)spiro(4.5)dec-7-ene
CID 13743810
2-Methyl-2-bornene
CID 155902
(2S,5S,10R)-6,10-dimethyl-2-(prop-1-en-2-yl)spiro[4.5]dec-6-ene
CID 443656
Npc326072
CID 520091
(-)-alpha-Alaskene
CID 524815
Bicyclo(2.2.1)hept-2-ene, 2,7,7-trimethyl-
CID 564720

Frequently Asked Questions

What is the IUPAC name of trans-(3R,4S)-3-ethenyl-1,1-dimethyl-4-(3-methylbut-3-enyl)cyclopentane?
The IUPAC name of trans-(3R,4S)-3-ethenyl-1,1-dimethyl-4-(3-methylbut-3-enyl)cyclopentane (CID 135014432) is trans-(3R,4S)-3-ethenyl-1,1-dimethyl-4-(3-methylbut-3-enyl)cyclopentane.
What is the SMILES notation for trans-(3R,4S)-3-ethenyl-1,1-dimethyl-4-(3-methylbut-3-enyl)cyclopentane?
The canonical SMILES for trans-(3R,4S)-3-ethenyl-1,1-dimethyl-4-(3-methylbut-3-enyl)cyclopentane is C=C[C@H]1CC(C)(C)C[C@@H]1CCC(=C)C.
What is the InChIKey of trans-(3R,4S)-3-ethenyl-1,1-dimethyl-4-(3-methylbut-3-enyl)cyclopentane?
The InChIKey is IUXJPHXXDVCISZ-STQMWFEESA-N. The full InChI is InChI=1S/C14H24/c1-6-12-9-14(4,5)10-13(12)8-7-11(2)3/h6,12-13H,1-2,7-10H2,3-5H3/t12-,13-/m0/s1.
What are the key properties of trans-(3R,4S)-3-ethenyl-1,1-dimethyl-4-(3-methylbut-3-enyl)cyclopentane?
trans-(3R,4S)-3-ethenyl-1,1-dimethyl-4-(3-methylbut-3-enyl)cyclopentane has a molecular weight of 192.35 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(3R,4S)-3-ethenyl-1,1-dimethyl-4-(3-methylbut-3-enyl)cyclopentane is sourced from PubChem (CID 135014432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).