2-but-1-enyl-1,6-dimethyl-2,3,3a,4,7,7a-hexahydro-1H-indene

C15H24 — CID 123487716

IUPAC2-but-1-enyl-1,6-dimethyl-2,3,3a,4,7,7a-hexahydro-1H-indene
SMILESCCC=CC1CC2CC=C(C)CC2C1C
InChIInChI=1S/C15H24/c1-4-5-6-13-10-14-8-7-11(2)9-15(14)12(13)3/h5-7,12-15H,4,8-10H2,1-3H3
InChIKeyIUPYMMMBEJYCLZ-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.58
Rot. Bonds2

About 2-but-1-enyl-1,6-dimethyl-2,3,3a,4,7,7a-hexahydro-1H-indene

2-but-1-enyl-1,6-dimethyl-2,3,3a,4,7,7a-hexahydro-1H-indene (PubChem CID 123487716) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 2-but-1-enyl-1,6-dimethyl-2,3,3a,4,7,7a-hexahydro-1H-indene.

Molecular Properties

Compound Name2-but-1-enyl-1,6-dimethyl-2,3,3a,4,7,7a-hexahydro-1H-indene
PubChem CID123487716
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name2-but-1-enyl-1,6-dimethyl-2,3,3a,4,7,7a-hexahydro-1H-indene
SMILESCCC=CC1CC2CC=C(C)CC2C1C
InChIInChI=1S/C15H24/c1-4-5-6-13-10-14-8-7-11(2)9-15(14)12(13)3/h5-7,12-15H,4,8-10H2,1-3H3
InChIKeyIUPYMMMBEJYCLZ-UHFFFAOYSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
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

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CID 3033878
gamma-Gurjunene
CID 15560285
2,5-Dimethyldicyclopentadiene
CID 3437714
alpha-Panasinsene
CID 578929
Bornylene
CID 10047
Bicyclo[2.2.1]hept-2-ene, 5-octyl-
CID 15701270
Premnaspirodiene
CID 14355861
alpha-Acoradiene
CID 90351
Cascarilladiene
CID 570507
(+)-Guaia-6,9-diene
CID 14190790
beta-Acoradiene
CID 20055537
5-endo-Hexyl-bicyclo(2.2.1)hept-2-ene
CID 21584940

Frequently Asked Questions

What is the IUPAC name of 2-but-1-enyl-1,6-dimethyl-2,3,3a,4,7,7a-hexahydro-1H-indene?
The IUPAC name of 2-but-1-enyl-1,6-dimethyl-2,3,3a,4,7,7a-hexahydro-1H-indene (CID 123487716) is 2-but-1-enyl-1,6-dimethyl-2,3,3a,4,7,7a-hexahydro-1H-indene.
What is the SMILES notation for 2-but-1-enyl-1,6-dimethyl-2,3,3a,4,7,7a-hexahydro-1H-indene?
The canonical SMILES for 2-but-1-enyl-1,6-dimethyl-2,3,3a,4,7,7a-hexahydro-1H-indene is CCC=CC1CC2CC=C(C)CC2C1C.
What is the InChIKey of 2-but-1-enyl-1,6-dimethyl-2,3,3a,4,7,7a-hexahydro-1H-indene?
The InChIKey is IUPYMMMBEJYCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-4-5-6-13-10-14-8-7-11(2)9-15(14)12(13)3/h5-7,12-15H,4,8-10H2,1-3H3.
What are the key properties of 2-but-1-enyl-1,6-dimethyl-2,3,3a,4,7,7a-hexahydro-1H-indene?
2-but-1-enyl-1,6-dimethyl-2,3,3a,4,7,7a-hexahydro-1H-indene has a molecular weight of 204.36 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-1-enyl-1,6-dimethyl-2,3,3a,4,7,7a-hexahydro-1H-indene is sourced from PubChem (CID 123487716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).