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

C14H20 — CID 59915584

IUPAC9-methylidene-1,2,3,4,5,6,7,8,8a,9a-decahydrofluorene
SMILESC=C1C2CCCCC2=C2CCCCC12
InChIInChI=1S/C14H20/c1-10-11-6-2-4-8-13(11)14-9-5-3-7-12(10)14/h11-12H,1-9H2
InChIKeyNYQUUQUMLWKEFQ-UHFFFAOYSA-N
MW188.31 g/mol
LogP4.23
Rot. Bonds

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

9-methylidene-1,2,3,4,5,6,7,8,8a,9a-decahydrofluorene (PubChem CID 59915584) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 9-methylidene-1,2,3,4,5,6,7,8,8a,9a-decahydrofluorene.

Molecular Properties

Compound Name9-methylidene-1,2,3,4,5,6,7,8,8a,9a-decahydrofluorene
PubChem CID59915584
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name9-methylidene-1,2,3,4,5,6,7,8,8a,9a-decahydrofluorene
SMILESC=C1C2CCCCC2=C2CCCCC12
InChIInChI=1S/C14H20/c1-10-11-6-2-4-8-13(11)14-9-5-3-7-12(10)14/h11-12H,1-9H2
InChIKeyNYQUUQUMLWKEFQ-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
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 9-methylidene-1,2,3,4,5,6,7,8,8a,9a-decahydrofluorene?
The IUPAC name of 9-methylidene-1,2,3,4,5,6,7,8,8a,9a-decahydrofluorene (CID 59915584) is 9-methylidene-1,2,3,4,5,6,7,8,8a,9a-decahydrofluorene.
What is the SMILES notation for 9-methylidene-1,2,3,4,5,6,7,8,8a,9a-decahydrofluorene?
The canonical SMILES for 9-methylidene-1,2,3,4,5,6,7,8,8a,9a-decahydrofluorene is C=C1C2CCCCC2=C2CCCCC12.
What is the InChIKey of 9-methylidene-1,2,3,4,5,6,7,8,8a,9a-decahydrofluorene?
The InChIKey is NYQUUQUMLWKEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20/c1-10-11-6-2-4-8-13(11)14-9-5-3-7-12(10)14/h11-12H,1-9H2.
What are the key properties of 9-methylidene-1,2,3,4,5,6,7,8,8a,9a-decahydrofluorene?
9-methylidene-1,2,3,4,5,6,7,8,8a,9a-decahydrofluorene has a molecular weight of 188.31 g/mol, XLogP of 4.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylidene-1,2,3,4,5,6,7,8,8a,9a-decahydrofluorene is sourced from PubChem (CID 59915584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).