6-ethyl-1,2,3,4,4a,7,8,9,10,10a-decahydrophenanthrene

C16H24 — CID 142400058

IUPAC6-ethyl-1,2,3,4,4a,7,8,9,10,10a-decahydrophenanthrene
SMILESCCC1=CC2=C(CC1)CCC1CCCCC21
InChIInChI=1S/C16H24/c1-2-12-7-8-14-10-9-13-5-3-4-6-15(13)16(14)11-12/h11,13,15H,2-10H2,1H3
InChIKeyPSYVFJXHJPZQCR-UHFFFAOYSA-N
MW216.37 g/mol
LogP5.01
Rot. Bonds1

About 6-ethyl-1,2,3,4,4a,7,8,9,10,10a-decahydrophenanthrene

6-ethyl-1,2,3,4,4a,7,8,9,10,10a-decahydrophenanthrene (PubChem CID 142400058) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 6-ethyl-1,2,3,4,4a,7,8,9,10,10a-decahydrophenanthrene.

Molecular Properties

Compound Name6-ethyl-1,2,3,4,4a,7,8,9,10,10a-decahydrophenanthrene
PubChem CID142400058
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name6-ethyl-1,2,3,4,4a,7,8,9,10,10a-decahydrophenanthrene
SMILESCCC1=CC2=C(CC1)CCC1CCCCC21
InChIInChI=1S/C16H24/c1-2-12-7-8-14-10-9-13-5-3-4-6-15(13)16(14)11-12/h11,13,15H,2-10H2,1H3
InChIKeyPSYVFJXHJPZQCR-UHFFFAOYSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.37
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(4aS,10aS)-1,2,3,4,4a,7,8,9,10,10a-decahydrophenanthrene
CID 57022585
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CID 57120268
(4aS,10aS)-5,7-dichloro-1,2,3,4,4a,7,8,9,10,10a-decahydrophenanthrene
CID 57247407
(4aS,8aS)-3-ethoxy-4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-one
CID 97303660
6-ethyl-1,2,3,3a,4,6a-hexahydropentalene
CID 23282973
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CID 131860201
(3aR,7aS)-3-methyl-3a,4,5,6,7,7a-hexahydro-1H-indene
CID 13181412
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CID 158506578
(Z)-but-2-ene;1,4-diethylcyclohexa-1,3-diene
CID 143221988
[(4aR)-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]methanamine
CID 138739718
3-ethyl-7-propyl-1,2,5,6-tetrahydronaphthalene
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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1,2,3,4,4a,7,8,9,10,10a-decahydrophenanthrene?
The IUPAC name of 6-ethyl-1,2,3,4,4a,7,8,9,10,10a-decahydrophenanthrene (CID 142400058) is 6-ethyl-1,2,3,4,4a,7,8,9,10,10a-decahydrophenanthrene.
What is the SMILES notation for 6-ethyl-1,2,3,4,4a,7,8,9,10,10a-decahydrophenanthrene?
The canonical SMILES for 6-ethyl-1,2,3,4,4a,7,8,9,10,10a-decahydrophenanthrene is CCC1=CC2=C(CC1)CCC1CCCCC21.
What is the InChIKey of 6-ethyl-1,2,3,4,4a,7,8,9,10,10a-decahydrophenanthrene?
The InChIKey is PSYVFJXHJPZQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24/c1-2-12-7-8-14-10-9-13-5-3-4-6-15(13)16(14)11-12/h11,13,15H,2-10H2,1H3.
What are the key properties of 6-ethyl-1,2,3,4,4a,7,8,9,10,10a-decahydrophenanthrene?
6-ethyl-1,2,3,4,4a,7,8,9,10,10a-decahydrophenanthrene has a molecular weight of 216.37 g/mol, XLogP of 5.01, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1,2,3,4,4a,7,8,9,10,10a-decahydrophenanthrene is sourced from PubChem (CID 142400058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).