9-[1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)hex-5-en-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene

C28H46 — CID 91126334

IUPAC9-[1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)hex-5-en-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
SMILESC=CCCC(CC1CCC2CCCCC21)C1C2CCCCC2C2CCCCC21
InChIInChI=1S/C28H46/c1-2-3-10-22(19-21-18-17-20-11-4-5-12-23(20)21)28-26-15-8-6-13-24(26)25-14-7-9-16-27(25)28/h2,20-28H,1,3-19H2
InChIKeyOCXDMMRKJGOIHF-UHFFFAOYSA-N
MW382.68 g/mol
LogP8.42
Rot. Bonds6

About 9-[1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)hex-5-en-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene

9-[1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)hex-5-en-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene (PubChem CID 91126334) has the molecular formula C28H46 and a molecular weight of 382.68 g/mol. Its IUPAC name is 9-[1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)hex-5-en-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene.

Molecular Properties

Compound Name9-[1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)hex-5-en-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
PubChem CID91126334
Molecular FormulaC28H46
Molecular Weight382.68 g/mol
Exact Mass382.36
IUPAC Name9-[1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)hex-5-en-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
SMILESC=CCCC(CC1CCC2CCCCC21)C1C2CCCCC2C2CCCCC21
InChIInChI=1S/C28H46/c1-2-3-10-22(19-21-18-17-20-11-4-5-12-23(20)21)28-26-15-8-6-13-24(26)25-14-7-9-16-27(25)28/h2,20-28H,1,3-19H2
InChIKeyOCXDMMRKJGOIHF-UHFFFAOYSA-N
XLogP8.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.68
LogP ≤ 58.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9-[1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)hex-5-en-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene with MolForge

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Related Compounds

1-(7-bicyclo[4.1.0]heptanyl)pent-4-enylhydrazine
CID 105311622
2-cyclohexylhex-5-en-1-amine
CID 66694648
1-cyclopentyl-2-(2-methylpropyl)cyclopentane
CID 57306943
1-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;carbanide;zirconium(4+)
CID 23230200
[(1R,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methanol
CID 130831326
1-(2-methylhex-5-en-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 123685211
N-but-3-enyl-2-cyclohexylcyclohexan-1-amine
CID 113465420
2-methylhex-5-enylcyclohexane
CID 142828676
1-ethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;propane
CID 143787282
(2-prop-2-enylcyclopropyl)cyclopentane
CID 154518505
(8S,9R,13S)-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene
CID 145133460
9-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl)-10-(1-cyclohexylpentan-2-yl)-2-methyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 143673160

Frequently Asked Questions

What is the IUPAC name of 9-[1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)hex-5-en-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene?
The IUPAC name of 9-[1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)hex-5-en-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene (CID 91126334) is 9-[1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)hex-5-en-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene.
What is the SMILES notation for 9-[1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)hex-5-en-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene?
The canonical SMILES for 9-[1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)hex-5-en-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene is C=CCCC(CC1CCC2CCCCC21)C1C2CCCCC2C2CCCCC21.
What is the InChIKey of 9-[1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)hex-5-en-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene?
The InChIKey is OCXDMMRKJGOIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H46/c1-2-3-10-22(19-21-18-17-20-11-4-5-12-23(20)21)28-26-15-8-6-13-24(26)25-14-7-9-16-27(25)28/h2,20-28H,1,3-19H2.
What are the key properties of 9-[1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)hex-5-en-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene?
9-[1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)hex-5-en-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene has a molecular weight of 382.68 g/mol, XLogP of 8.42, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)hex-5-en-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene is sourced from PubChem (CID 91126334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).