(3aR,9Z)-2,2,5,9-tetramethyl-3,3a,4,6,7,8-hexahydro-1H-cyclopenta[8]annulen-5-ylium

C15H25+ — CID 134832503

IUPAC(3aR,9Z)-2,2,5,9-tetramethyl-3,3a,4,6,7,8-hexahydro-1H-cyclopenta[8]annulen-5-ylium
SMILESC/C1=C2\CC(C)(C)C[C@H]2C[C+](C)CCC1
InChIInChI=1S/C15H25/c1-11-6-5-7-12(2)14-10-15(3,4)9-13(14)8-11/h13H,5-10H2,1-4H3/q+1/b14-12-/t13-/m1/s1
InChIKeyCMCVRVNNKAGCKA-NXXVSJRMSA-N
MW205.36 g/mol
LogP4.91
Rot. Bonds

About (3aR,9Z)-2,2,5,9-tetramethyl-3,3a,4,6,7,8-hexahydro-1H-cyclopenta[8]annulen-5-ylium

(3aR,9Z)-2,2,5,9-tetramethyl-3,3a,4,6,7,8-hexahydro-1H-cyclopenta[8]annulen-5-ylium (PubChem CID 134832503) has the molecular formula C15H25+ and a molecular weight of 205.36 g/mol. Its IUPAC name is (3aR,9Z)-2,2,5,9-tetramethyl-3,3a,4,6,7,8-hexahydro-1H-cyclopenta[8]annulen-5-ylium.

Molecular Properties

Compound Name(3aR,9Z)-2,2,5,9-tetramethyl-3,3a,4,6,7,8-hexahydro-1H-cyclopenta[8]annulen-5-ylium
PubChem CID134832503
Molecular FormulaC15H25+
Molecular Weight205.36 g/mol
Exact Mass205.20
IUPAC Name(3aR,9Z)-2,2,5,9-tetramethyl-3,3a,4,6,7,8-hexahydro-1H-cyclopenta[8]annulen-5-ylium
SMILESC/C1=C2\CC(C)(C)C[C@H]2C[C+](C)CCC1
InChIInChI=1S/C15H25/c1-11-6-5-7-12(2)14-10-15(3,4)9-13(14)8-11/h13H,5-10H2,1-4H3/q+1/b14-12-/t13-/m1/s1
InChIKeyCMCVRVNNKAGCKA-NXXVSJRMSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.36
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Delta(6)-protoilludene
CID 15939655
Premnaspirodiene
CID 14355861
(3S,5R,6R)-6,10-dimethyl-3-prop-1-en-2-ylspiro[4.5]dec-9-ene
CID 90658578
(+)-2-Sterpurene
CID 10943609
(2S,5S,10R)-6,10-dimethyl-2-(prop-1-en-2-yl)spiro[4.5]dec-6-ene
CID 443656
Hinesene
CID 11310242
epsilon-Fenchene
CID 6452384
Pristinol
CID 139591490
(3S)-(+)-Asterisca-2(9),6-diene
CID 129320402
(3aR,5Z,9aR)-2,2,5-trimethyl-9-methylidene-3,3a,4,7,8,9a-hexahydro-1H-cyclopenta[8]annulene
CID 15519994
(3S,5S,6R)-6,10-dimethyl-3-propan-2-ylspiro[4.5]dec-9-ene
CID 163106339
3,6,6,7b-tetramethyl-2,4,4a,5,7,7a-hexahydro-1H-cyclobuta[e]indene
CID 73201001

Frequently Asked Questions

What is the IUPAC name of (3aR,9Z)-2,2,5,9-tetramethyl-3,3a,4,6,7,8-hexahydro-1H-cyclopenta[8]annulen-5-ylium?
The IUPAC name of (3aR,9Z)-2,2,5,9-tetramethyl-3,3a,4,6,7,8-hexahydro-1H-cyclopenta[8]annulen-5-ylium (CID 134832503) is (3aR,9Z)-2,2,5,9-tetramethyl-3,3a,4,6,7,8-hexahydro-1H-cyclopenta[8]annulen-5-ylium.
What is the SMILES notation for (3aR,9Z)-2,2,5,9-tetramethyl-3,3a,4,6,7,8-hexahydro-1H-cyclopenta[8]annulen-5-ylium?
The canonical SMILES for (3aR,9Z)-2,2,5,9-tetramethyl-3,3a,4,6,7,8-hexahydro-1H-cyclopenta[8]annulen-5-ylium is C/C1=C2\CC(C)(C)C[C@H]2C[C+](C)CCC1.
What is the InChIKey of (3aR,9Z)-2,2,5,9-tetramethyl-3,3a,4,6,7,8-hexahydro-1H-cyclopenta[8]annulen-5-ylium?
The InChIKey is CMCVRVNNKAGCKA-NXXVSJRMSA-N. The full InChI is InChI=1S/C15H25/c1-11-6-5-7-12(2)14-10-15(3,4)9-13(14)8-11/h13H,5-10H2,1-4H3/q+1/b14-12-/t13-/m1/s1.
What are the key properties of (3aR,9Z)-2,2,5,9-tetramethyl-3,3a,4,6,7,8-hexahydro-1H-cyclopenta[8]annulen-5-ylium?
(3aR,9Z)-2,2,5,9-tetramethyl-3,3a,4,6,7,8-hexahydro-1H-cyclopenta[8]annulen-5-ylium has a molecular weight of 205.36 g/mol, XLogP of 4.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,9Z)-2,2,5,9-tetramethyl-3,3a,4,6,7,8-hexahydro-1H-cyclopenta[8]annulen-5-ylium is sourced from PubChem (CID 134832503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).