10-ethenyl-1,2,3,4,4a,5,6,7,8,10a-decahydrophenanthrene

C16H22 — CID 59819079

IUPAC10-ethenyl-1,2,3,4,4a,5,6,7,8,10a-decahydrophenanthrene
SMILESC=CC1=CC2=C(CCCC2)C2CCCCC12
InChIInChI=1S/C16H22/c1-2-12-11-13-7-3-4-9-15(13)16-10-6-5-8-14(12)16/h2,11,14,16H,1,3-10H2
InChIKeyXZZFZMXDYOGLQR-UHFFFAOYSA-N
MW214.35 g/mol
LogP4.79
Rot. Bonds1

About 10-ethenyl-1,2,3,4,4a,5,6,7,8,10a-decahydrophenanthrene

10-ethenyl-1,2,3,4,4a,5,6,7,8,10a-decahydrophenanthrene (PubChem CID 59819079) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is 10-ethenyl-1,2,3,4,4a,5,6,7,8,10a-decahydrophenanthrene.

Molecular Properties

Compound Name10-ethenyl-1,2,3,4,4a,5,6,7,8,10a-decahydrophenanthrene
PubChem CID59819079
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Name10-ethenyl-1,2,3,4,4a,5,6,7,8,10a-decahydrophenanthrene
SMILESC=CC1=CC2=C(CCCC2)C2CCCCC12
InChIInChI=1S/C16H22/c1-2-12-11-13-7-3-4-9-15(13)16-10-6-5-8-14(12)16/h2,11,14,16H,1,3-10H2
InChIKeyXZZFZMXDYOGLQR-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 10-ethenyl-1,2,3,4,4a,5,6,7,8,10a-decahydrophenanthrene?
The IUPAC name of 10-ethenyl-1,2,3,4,4a,5,6,7,8,10a-decahydrophenanthrene (CID 59819079) is 10-ethenyl-1,2,3,4,4a,5,6,7,8,10a-decahydrophenanthrene.
What is the SMILES notation for 10-ethenyl-1,2,3,4,4a,5,6,7,8,10a-decahydrophenanthrene?
The canonical SMILES for 10-ethenyl-1,2,3,4,4a,5,6,7,8,10a-decahydrophenanthrene is C=CC1=CC2=C(CCCC2)C2CCCCC12.
What is the InChIKey of 10-ethenyl-1,2,3,4,4a,5,6,7,8,10a-decahydrophenanthrene?
The InChIKey is XZZFZMXDYOGLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22/c1-2-12-11-13-7-3-4-9-15(13)16-10-6-5-8-14(12)16/h2,11,14,16H,1,3-10H2.
What are the key properties of 10-ethenyl-1,2,3,4,4a,5,6,7,8,10a-decahydrophenanthrene?
10-ethenyl-1,2,3,4,4a,5,6,7,8,10a-decahydrophenanthrene has a molecular weight of 214.35 g/mol, XLogP of 4.79, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethenyl-1,2,3,4,4a,5,6,7,8,10a-decahydrophenanthrene is sourced from PubChem (CID 59819079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).