1-(3,3-diethoxydodec-1-en-4-yl)-9H-fluorene

C29H40O2 — CID 150198679

IUPAC1-(3,3-diethoxydodec-1-en-4-yl)-9H-fluorene
SMILESC=CC(OCC)(OCC)C(CCCCCCCC)c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C29H40O2/c1-5-9-10-11-12-13-21-28(29(6-2,30-7-3)31-8-4)26-20-16-19-25-24-18-15-14-17-23(24)22-27(25)26/h6,14-20,28H,2,5,7-13,21-22H2,1,3-4H3
InChIKeyFOZMCSVOGJKBBA-UHFFFAOYSA-N
MW420.64 g/mol
LogP8.05
Rot. Bonds14

About 1-(3,3-diethoxydodec-1-en-4-yl)-9H-fluorene

1-(3,3-diethoxydodec-1-en-4-yl)-9H-fluorene (PubChem CID 150198679) has the molecular formula C29H40O2 and a molecular weight of 420.64 g/mol. Its IUPAC name is 1-(3,3-diethoxydodec-1-en-4-yl)-9H-fluorene.

Molecular Properties

Compound Name1-(3,3-diethoxydodec-1-en-4-yl)-9H-fluorene
PubChem CID150198679
Molecular FormulaC29H40O2
Molecular Weight420.64 g/mol
Exact Mass420.30
IUPAC Name1-(3,3-diethoxydodec-1-en-4-yl)-9H-fluorene
SMILESC=CC(OCC)(OCC)C(CCCCCCCC)c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C29H40O2/c1-5-9-10-11-12-13-21-28(29(6-2,30-7-3)31-8-4)26-20-16-19-25-24-18-15-14-17-23(24)22-27(25)26/h6,14-20,28H,2,5,7-13,21-22H2,1,3-4H3
InChIKeyFOZMCSVOGJKBBA-UHFFFAOYSA-N
XLogP8.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.64
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(9H-fluoren-1-yl)butane-1,1,1-triol
CID 141018986
9H-fluorene;henicosane
CID 174789372
4-[9H-fluoren-1-yl(dimethoxy)methyl]dodecan-1-amine
CID 152556680
1-prop-1-enyl-9H-fluorene;1,1,1-trimethoxy-2-(methoxymethyl)decane
CID 161289439
1-[1-(9H-fluoren-1-yl)dec-9-en-2-yl]-9H-fluorene
CID 19692122
N-[9H-fluoren-1-yl(dimethyl)silyl]dodecan-2-amine
CID 87342848
N-(9H-fluoren-1-yl)-N-tetradecyl-9H-fluoren-1-amine
CID 150228680
9H-fluorene-1-thiol;pentan-1-amine
CID 175214866
N,N-didecyl-9H-fluoren-1-amine
CID 151349271
1-hept-1-en-2-yl-9H-fluorene
CID 90871277
4-(9H-fluoren-1-yl)pentan-2-ol
CID 151971706
1-(9H-fluoren-1-yl)hexadecan-1-one
CID 139905434

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diethoxydodec-1-en-4-yl)-9H-fluorene?
The IUPAC name of 1-(3,3-diethoxydodec-1-en-4-yl)-9H-fluorene (CID 150198679) is 1-(3,3-diethoxydodec-1-en-4-yl)-9H-fluorene.
What is the SMILES notation for 1-(3,3-diethoxydodec-1-en-4-yl)-9H-fluorene?
The canonical SMILES for 1-(3,3-diethoxydodec-1-en-4-yl)-9H-fluorene is C=CC(OCC)(OCC)C(CCCCCCCC)c1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 1-(3,3-diethoxydodec-1-en-4-yl)-9H-fluorene?
The InChIKey is FOZMCSVOGJKBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40O2/c1-5-9-10-11-12-13-21-28(29(6-2,30-7-3)31-8-4)26-20-16-19-25-24-18-15-14-17-23(24)22-27(25)26/h6,14-20,28H,2,5,7-13,21-22H2,1,3-4H3.
What are the key properties of 1-(3,3-diethoxydodec-1-en-4-yl)-9H-fluorene?
1-(3,3-diethoxydodec-1-en-4-yl)-9H-fluorene has a molecular weight of 420.64 g/mol, XLogP of 8.05, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diethoxydodec-1-en-4-yl)-9H-fluorene is sourced from PubChem (CID 150198679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).