4-propan-2-ylidene-1,2,3,3a,6,7,8,9-octahydrocyclopenta[a]naphthalene

C16H22 — CID 10991364

IUPAC4-propan-2-ylidene-1,2,3,3a,6,7,8,9-octahydrocyclopenta[a]naphthalene
SMILESCC(C)=C1C=C2CCCCC2=C2CCCC12
InChIInChI=1S/C16H22/c1-11(2)16-10-12-6-3-4-7-13(12)14-8-5-9-15(14)16/h10,15H,3-9H2,1-2H3
InChIKeyMHULPDJJPMVMIK-UHFFFAOYSA-N
MW214.35 g/mol
LogP4.93
Rot. Bonds

About 4-propan-2-ylidene-1,2,3,3a,6,7,8,9-octahydrocyclopenta[a]naphthalene

4-propan-2-ylidene-1,2,3,3a,6,7,8,9-octahydrocyclopenta[a]naphthalene (PubChem CID 10991364) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is 4-propan-2-ylidene-1,2,3,3a,6,7,8,9-octahydrocyclopenta[a]naphthalene.

Molecular Properties

Compound Name4-propan-2-ylidene-1,2,3,3a,6,7,8,9-octahydrocyclopenta[a]naphthalene
PubChem CID10991364
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Name4-propan-2-ylidene-1,2,3,3a,6,7,8,9-octahydrocyclopenta[a]naphthalene
SMILESCC(C)=C1C=C2CCCCC2=C2CCCC12
InChIInChI=1S/C16H22/c1-11(2)16-10-12-6-3-4-7-13(12)14-8-5-9-15(14)16/h10,15H,3-9H2,1-2H3
InChIKeyMHULPDJJPMVMIK-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylidene-1,2,3,3a,6,7,8,9-octahydrocyclopenta[a]naphthalene?
The IUPAC name of 4-propan-2-ylidene-1,2,3,3a,6,7,8,9-octahydrocyclopenta[a]naphthalene (CID 10991364) is 4-propan-2-ylidene-1,2,3,3a,6,7,8,9-octahydrocyclopenta[a]naphthalene.
What is the SMILES notation for 4-propan-2-ylidene-1,2,3,3a,6,7,8,9-octahydrocyclopenta[a]naphthalene?
The canonical SMILES for 4-propan-2-ylidene-1,2,3,3a,6,7,8,9-octahydrocyclopenta[a]naphthalene is CC(C)=C1C=C2CCCCC2=C2CCCC12.
What is the InChIKey of 4-propan-2-ylidene-1,2,3,3a,6,7,8,9-octahydrocyclopenta[a]naphthalene?
The InChIKey is MHULPDJJPMVMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22/c1-11(2)16-10-12-6-3-4-7-13(12)14-8-5-9-15(14)16/h10,15H,3-9H2,1-2H3.
What are the key properties of 4-propan-2-ylidene-1,2,3,3a,6,7,8,9-octahydrocyclopenta[a]naphthalene?
4-propan-2-ylidene-1,2,3,3a,6,7,8,9-octahydrocyclopenta[a]naphthalene has a molecular weight of 214.35 g/mol, XLogP of 4.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylidene-1,2,3,3a,6,7,8,9-octahydrocyclopenta[a]naphthalene is sourced from PubChem (CID 10991364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).