2-ethyl-3-prop-1-en-2-yl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene

C19H32 — CID 123725309

IUPAC2-ethyl-3-prop-1-en-2-yl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
SMILESC=C(C)C1CC2CC3CCCCC3CC2CC1CC
InChIInChI=1S/C19H32/c1-4-14-9-17-10-15-7-5-6-8-16(15)11-18(17)12-19(14)13(2)3/h14-19H,2,4-12H2,1,3H3
InChIKeyHEOIFHMKNDNAEM-UHFFFAOYSA-N
MW260.46 g/mol
LogP5.83
Rot. Bonds2

About 2-ethyl-3-prop-1-en-2-yl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene

2-ethyl-3-prop-1-en-2-yl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene (PubChem CID 123725309) has the molecular formula C19H32 and a molecular weight of 260.46 g/mol. Its IUPAC name is 2-ethyl-3-prop-1-en-2-yl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene.

Molecular Properties

Compound Name2-ethyl-3-prop-1-en-2-yl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
PubChem CID123725309
Molecular FormulaC19H32
Molecular Weight260.46 g/mol
Exact Mass260.25
IUPAC Name2-ethyl-3-prop-1-en-2-yl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
SMILESC=C(C)C1CC2CC3CCCCC3CC2CC1CC
InChIInChI=1S/C19H32/c1-4-14-9-17-10-15-7-5-6-8-16(15)11-18(17)12-19(14)13(2)3/h14-19H,2,4-12H2,1,3H3
InChIKeyHEOIFHMKNDNAEM-UHFFFAOYSA-N
XLogP5.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.46
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-ethyl-3-prop-1-en-2-yl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene with MolForge

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Related Compounds

3-ethyltricyclo[4.3.1.12,5]undecane
CID 163995336
2-prop-1-en-2-ylbicyclo[9.7.0]octadecane
CID 123413845
ethane;2-ethyl-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 143769708
1-(2-ethylcyclohexyl)-2-methylprop-2-en-1-one
CID 58325604
2-ethyl-3-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 142876945
trans-(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclohexane
CID 163550244
2-prop-1-en-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 90735344
(5aR,9aR)-2-ethyl-3,5-dimethyl-4-methylidene-1,2,3,3a,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-hexadecahydrocyclopenta[b]anthracene
CID 162302290
(1R,6S)-bicyclo[4.1.0]heptane
CID 638054
2-prop-1-en-2-ylcyclododecan-1-ol
CID 141054945
2,3-bis(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;prop-1-ene;6,6,7-trimethyl-7-prop-1-en-2-yl-1,2,3,4,4a,5,8,8a-octahydronaphthalene
CID 144605888
pentacyclo[11.9.0.03,11.05,9.015,21]docosane
CID 132819456

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-prop-1-en-2-yl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene?
The IUPAC name of 2-ethyl-3-prop-1-en-2-yl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene (CID 123725309) is 2-ethyl-3-prop-1-en-2-yl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene.
What is the SMILES notation for 2-ethyl-3-prop-1-en-2-yl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene?
The canonical SMILES for 2-ethyl-3-prop-1-en-2-yl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene is C=C(C)C1CC2CC3CCCCC3CC2CC1CC.
What is the InChIKey of 2-ethyl-3-prop-1-en-2-yl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene?
The InChIKey is HEOIFHMKNDNAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32/c1-4-14-9-17-10-15-7-5-6-8-16(15)11-18(17)12-19(14)13(2)3/h14-19H,2,4-12H2,1,3H3.
What are the key properties of 2-ethyl-3-prop-1-en-2-yl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene?
2-ethyl-3-prop-1-en-2-yl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene has a molecular weight of 260.46 g/mol, XLogP of 5.83, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-prop-1-en-2-yl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene is sourced from PubChem (CID 123725309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).