(1R,3S,6S,8R)-11-propan-2-ylidenetetracyclo[6.2.1.13,6.02,7]dodec-2(7)-ene

C15H20 — CID 125036274

IUPAC(1R,3S,6S,8R)-11-propan-2-ylidenetetracyclo[6.2.1.13,6.02,7]dodec-2(7)-ene
SMILESCC(C)=C1[C@H]2CC[C@H]1C1=C2[C@H]2CC[C@H]1C2
InChIInChI=1S/C15H20/c1-8(2)13-11-5-6-12(13)15-10-4-3-9(7-10)14(11)15/h9-12H,3-7H2,1-2H3/t9-,10-,11+,12+/m0/s1
InChIKeyVGWQPZDGPJOCRT-NNYUYHANSA-N
MW200.32 g/mol
LogP4.09
Rot. Bonds

About (1R,3S,6S,8R)-11-propan-2-ylidenetetracyclo[6.2.1.13,6.02,7]dodec-2(7)-ene

(1R,3S,6S,8R)-11-propan-2-ylidenetetracyclo[6.2.1.13,6.02,7]dodec-2(7)-ene (PubChem CID 125036274) has the molecular formula C15H20 and a molecular weight of 200.32 g/mol. Its IUPAC name is (1R,3S,6S,8R)-11-propan-2-ylidenetetracyclo[6.2.1.13,6.02,7]dodec-2(7)-ene.

Molecular Properties

Compound Name(1R,3S,6S,8R)-11-propan-2-ylidenetetracyclo[6.2.1.13,6.02,7]dodec-2(7)-ene
PubChem CID125036274
Molecular FormulaC15H20
Molecular Weight200.32 g/mol
Exact Mass200.16
IUPAC Name(1R,3S,6S,8R)-11-propan-2-ylidenetetracyclo[6.2.1.13,6.02,7]dodec-2(7)-ene
SMILESCC(C)=C1[C@H]2CC[C@H]1C1=C2[C@H]2CC[C@H]1C2
InChIInChI=1S/C15H20/c1-8(2)13-11-5-6-12(13)15-10-4-3-9(7-10)14(11)15/h9-12H,3-7H2,1-2H3/t9-,10-,11+,12+/m0/s1
InChIKeyVGWQPZDGPJOCRT-NNYUYHANSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

7-propan-2-ylidenebicyclo[2.2.1]heptane
CID 11073488
14-propan-2-ylidene-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadec-2(7)-ene-10,12-dione
CID 13094676
(1S,3R,6S,8R)-tetracyclo[6.2.1.13,6.02,7]dodec-2(7)-ene
CID 12649555
2,3-di(propan-2-ylidene)bicyclo[2.2.1]heptane
CID 57216990
(1S,3S,4S,6R)-3,4-dimethyltricyclo[4.2.1.02,5]non-2(5)-ene
CID 101249321
(1S,8R)-3,4,5,6-tetrachloro-11-propan-2-ylidenetricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
CID 95565029
methyl 12-propan-2-ylidenetetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene-4-carboxylate
CID 13094670
(1R,3S,6R,8S)-4,5-bis(tert-butylsulfonyl)tetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene
CID 15203391
7-propan-2-ylidenebicyclo[2.2.1]heptane-2,3-diol
CID 130144952
(1R,4S)-7-propan-2-ylidene-2,3-dioxabicyclo[2.2.1]heptane
CID 102481953
(1S,4R)-2-propan-2-ylidenebicyclo[2.2.1]heptane
CID 96842588
2-propan-2-ylidenebicyclo[2.2.1]heptane
CID 12648921

Frequently Asked Questions

What is the IUPAC name of (1R,3S,6S,8R)-11-propan-2-ylidenetetracyclo[6.2.1.13,6.02,7]dodec-2(7)-ene?
The IUPAC name of (1R,3S,6S,8R)-11-propan-2-ylidenetetracyclo[6.2.1.13,6.02,7]dodec-2(7)-ene (CID 125036274) is (1R,3S,6S,8R)-11-propan-2-ylidenetetracyclo[6.2.1.13,6.02,7]dodec-2(7)-ene.
What is the SMILES notation for (1R,3S,6S,8R)-11-propan-2-ylidenetetracyclo[6.2.1.13,6.02,7]dodec-2(7)-ene?
The canonical SMILES for (1R,3S,6S,8R)-11-propan-2-ylidenetetracyclo[6.2.1.13,6.02,7]dodec-2(7)-ene is CC(C)=C1[C@H]2CC[C@H]1C1=C2[C@H]2CC[C@H]1C2.
What is the InChIKey of (1R,3S,6S,8R)-11-propan-2-ylidenetetracyclo[6.2.1.13,6.02,7]dodec-2(7)-ene?
The InChIKey is VGWQPZDGPJOCRT-NNYUYHANSA-N. The full InChI is InChI=1S/C15H20/c1-8(2)13-11-5-6-12(13)15-10-4-3-9(7-10)14(11)15/h9-12H,3-7H2,1-2H3/t9-,10-,11+,12+/m0/s1.
What are the key properties of (1R,3S,6S,8R)-11-propan-2-ylidenetetracyclo[6.2.1.13,6.02,7]dodec-2(7)-ene?
(1R,3S,6S,8R)-11-propan-2-ylidenetetracyclo[6.2.1.13,6.02,7]dodec-2(7)-ene has a molecular weight of 200.32 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 (1R,3S,6S,8R)-11-propan-2-ylidenetetracyclo[6.2.1.13,6.02,7]dodec-2(7)-ene is sourced from PubChem (CID 125036274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).