5-methylidene-1,2,3,4,4a,4b,6,7,8,9a-decahydrofluorene

C14H20 — CID 175558518

IUPAC5-methylidene-1,2,3,4,4a,4b,6,7,8,9a-decahydrofluorene
SMILESC=C1CCCC2=CC3CCCCC3C12
InChIInChI=1S/C14H20/c1-10-5-4-7-12-9-11-6-2-3-8-13(11)14(10)12/h9,11,13-14H,1-8H2
InChIKeyALCHYJLXAINFND-UHFFFAOYSA-N
MW188.31 g/mol
LogP4.09
Rot. Bonds

About 5-methylidene-1,2,3,4,4a,4b,6,7,8,9a-decahydrofluorene

5-methylidene-1,2,3,4,4a,4b,6,7,8,9a-decahydrofluorene (PubChem CID 175558518) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 5-methylidene-1,2,3,4,4a,4b,6,7,8,9a-decahydrofluorene.

Molecular Properties

Compound Name5-methylidene-1,2,3,4,4a,4b,6,7,8,9a-decahydrofluorene
PubChem CID175558518
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name5-methylidene-1,2,3,4,4a,4b,6,7,8,9a-decahydrofluorene
SMILESC=C1CCCC2=CC3CCCCC3C12
InChIInChI=1S/C14H20/c1-10-5-4-7-12-9-11-6-2-3-8-13(11)14(10)12/h9,11,13-14H,1-8H2
InChIKeyALCHYJLXAINFND-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methylidene-1,2,3,4,4a,4b,6,7,8,9a-decahydrofluorene?
The IUPAC name of 5-methylidene-1,2,3,4,4a,4b,6,7,8,9a-decahydrofluorene (CID 175558518) is 5-methylidene-1,2,3,4,4a,4b,6,7,8,9a-decahydrofluorene.
What is the SMILES notation for 5-methylidene-1,2,3,4,4a,4b,6,7,8,9a-decahydrofluorene?
The canonical SMILES for 5-methylidene-1,2,3,4,4a,4b,6,7,8,9a-decahydrofluorene is C=C1CCCC2=CC3CCCCC3C12.
What is the InChIKey of 5-methylidene-1,2,3,4,4a,4b,6,7,8,9a-decahydrofluorene?
The InChIKey is ALCHYJLXAINFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20/c1-10-5-4-7-12-9-11-6-2-3-8-13(11)14(10)12/h9,11,13-14H,1-8H2.
What are the key properties of 5-methylidene-1,2,3,4,4a,4b,6,7,8,9a-decahydrofluorene?
5-methylidene-1,2,3,4,4a,4b,6,7,8,9a-decahydrofluorene has a molecular weight of 188.31 g/mol, XLogP of 4.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-1,2,3,4,4a,4b,6,7,8,9a-decahydrofluorene is sourced from PubChem (CID 175558518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).