(9aR)-2,4,5,8,9,9a-hexahydro-1H-cyclopenta[8]annulene

C11H16 — CID 129409176

IUPAC(9aR)-2,4,5,8,9,9a-hexahydro-1H-cyclopenta[8]annulene
SMILESC1=CCC[C@@H]2CCC=C2CC1
InChIInChI=1S/C11H16/c1-2-4-7-11-9-5-8-10(11)6-3-1/h1-2,8,11H,3-7,9H2/t11-/m1/s1
InChIKeyHKLLKSMBLAQZOD-LLVKDONJSA-N
MW148.25 g/mol
LogP3.45
Rot. Bonds

About (9aR)-2,4,5,8,9,9a-hexahydro-1H-cyclopenta[8]annulene

(9aR)-2,4,5,8,9,9a-hexahydro-1H-cyclopenta[8]annulene (PubChem CID 129409176) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is (9aR)-2,4,5,8,9,9a-hexahydro-1H-cyclopenta[8]annulene.

Molecular Properties

Compound Name(9aR)-2,4,5,8,9,9a-hexahydro-1H-cyclopenta[8]annulene
PubChem CID129409176
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name(9aR)-2,4,5,8,9,9a-hexahydro-1H-cyclopenta[8]annulene
SMILESC1=CCC[C@@H]2CCC=C2CC1
InChIInChI=1S/C11H16/c1-2-4-7-11-9-5-8-10(11)6-3-1/h1-2,8,11H,3-7,9H2/t11-/m1/s1
InChIKeyHKLLKSMBLAQZOD-LLVKDONJSA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (9aR)-2,4,5,8,9,9a-hexahydro-1H-cyclopenta[8]annulene with MolForge

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Related Compounds

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(1E)-1-cyclohexylcyclodecene
CID 139760930
2,4,5,7a-tetrahydro-1H-indene;propane
CID 145030145
5-[(6Z)-6-[(4E)-cyclooct-4-en-1-yl]-3a,4,5,8,9,9a-hexahydrocycloocta[d][1,3]dioxol-2-yl]pentanoic acid
CID 139404903
4-(cyclohexen-1-yl)cyclohexan-1-amine
CID 146223069
1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene
CID 101316646
1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrole
CID 66924633
1-cyclohex-3-en-1-ylcyclohexa-1,4-diene
CID 123875821
1-(1,2,3,3a,4,5-hexahydropentalen-2-yl)ethanone
CID 141162537

Frequently Asked Questions

What is the IUPAC name of (9aR)-2,4,5,8,9,9a-hexahydro-1H-cyclopenta[8]annulene?
The IUPAC name of (9aR)-2,4,5,8,9,9a-hexahydro-1H-cyclopenta[8]annulene (CID 129409176) is (9aR)-2,4,5,8,9,9a-hexahydro-1H-cyclopenta[8]annulene.
What is the SMILES notation for (9aR)-2,4,5,8,9,9a-hexahydro-1H-cyclopenta[8]annulene?
The canonical SMILES for (9aR)-2,4,5,8,9,9a-hexahydro-1H-cyclopenta[8]annulene is C1=CCC[C@@H]2CCC=C2CC1.
What is the InChIKey of (9aR)-2,4,5,8,9,9a-hexahydro-1H-cyclopenta[8]annulene?
The InChIKey is HKLLKSMBLAQZOD-LLVKDONJSA-N. The full InChI is InChI=1S/C11H16/c1-2-4-7-11-9-5-8-10(11)6-3-1/h1-2,8,11H,3-7,9H2/t11-/m1/s1.
What are the key properties of (9aR)-2,4,5,8,9,9a-hexahydro-1H-cyclopenta[8]annulene?
(9aR)-2,4,5,8,9,9a-hexahydro-1H-cyclopenta[8]annulene has a molecular weight of 148.25 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (9aR)-2,4,5,8,9,9a-hexahydro-1H-cyclopenta[8]annulene is sourced from PubChem (CID 129409176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).