1-prop-1-enyl-9H-fluorene;1,1,1-trimethoxy-2-(methoxymethyl)decane

C31H46O4 — CID 161289439

IUPAC1-prop-1-enyl-9H-fluorene;1,1,1-trimethoxy-2-(methoxymethyl)decane
SMILESCC=Cc1cccc2c1Cc1ccccc1-2.CCCCCCCCC(COC)C(OC)(OC)OC
InChIInChI=1S/C16H14.C15H32O4/c1-2-6-12-8-5-10-15-14-9-4-3-7-13(14)11-16(12)15;1-6-7-8-9-10-11-12-14(13-16-2)15(17-3,18-4)19-5/h2-10H,11H2,1H3;14H,6-13H2,1-5H3
InChIKeyVGDQWXBNMKNQIZ-UHFFFAOYSA-N
MW482.71 g/mol
LogP7.88
Rot. Bonds14

About 1-prop-1-enyl-9H-fluorene;1,1,1-trimethoxy-2-(methoxymethyl)decane

1-prop-1-enyl-9H-fluorene;1,1,1-trimethoxy-2-(methoxymethyl)decane (PubChem CID 161289439) has the molecular formula C31H46O4 and a molecular weight of 482.71 g/mol. Its IUPAC name is 1-prop-1-enyl-9H-fluorene;1,1,1-trimethoxy-2-(methoxymethyl)decane.

Molecular Properties

Compound Name1-prop-1-enyl-9H-fluorene;1,1,1-trimethoxy-2-(methoxymethyl)decane
PubChem CID161289439
Molecular FormulaC31H46O4
Molecular Weight482.71 g/mol
Exact Mass482.34
IUPAC Name1-prop-1-enyl-9H-fluorene;1,1,1-trimethoxy-2-(methoxymethyl)decane
SMILESCC=Cc1cccc2c1Cc1ccccc1-2.CCCCCCCCC(COC)C(OC)(OC)OC
InChIInChI=1S/C16H14.C15H32O4/c1-2-6-12-8-5-10-15-14-9-4-3-7-13(14)11-16(12)15;1-6-7-8-9-10-11-12-14(13-16-2)15(17-3,18-4)19-5/h2-10H,11H2,1H3;14H,6-13H2,1-5H3
InChIKeyVGDQWXBNMKNQIZ-UHFFFAOYSA-N
XLogP7.88
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.71
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[9H-fluoren-1-yl(dimethoxy)methyl]dodecan-1-amine
CID 152556680
3-(trimethoxymethyl)decylbenzene
CID 151123781
9H-fluorene;henicosane
CID 174789372
1-(3,3-diethoxydodec-1-en-4-yl)-9H-fluorene
CID 150198679
3-(trimethoxymethyl)undecane
CID 150552650
6-(trimethoxymethyl)tridecane
CID 151806345
1-(9H-fluoren-1-yl)hexadecan-1-one
CID 139905434
2-(9H-fluoren-1-yl)ethenyl hypofluorite
CID 172862846
9H-fluorene;nonylbenzene
CID 161236553
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

Frequently Asked Questions

What is the IUPAC name of 1-prop-1-enyl-9H-fluorene;1,1,1-trimethoxy-2-(methoxymethyl)decane?
The IUPAC name of 1-prop-1-enyl-9H-fluorene;1,1,1-trimethoxy-2-(methoxymethyl)decane (CID 161289439) is 1-prop-1-enyl-9H-fluorene;1,1,1-trimethoxy-2-(methoxymethyl)decane.
What is the SMILES notation for 1-prop-1-enyl-9H-fluorene;1,1,1-trimethoxy-2-(methoxymethyl)decane?
The canonical SMILES for 1-prop-1-enyl-9H-fluorene;1,1,1-trimethoxy-2-(methoxymethyl)decane is CC=Cc1cccc2c1Cc1ccccc1-2.CCCCCCCCC(COC)C(OC)(OC)OC.
What is the InChIKey of 1-prop-1-enyl-9H-fluorene;1,1,1-trimethoxy-2-(methoxymethyl)decane?
The InChIKey is VGDQWXBNMKNQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14.C15H32O4/c1-2-6-12-8-5-10-15-14-9-4-3-7-13(14)11-16(12)15;1-6-7-8-9-10-11-12-14(13-16-2)15(17-3,18-4)19-5/h2-10H,11H2,1H3;14H,6-13H2,1-5H3.
What are the key properties of 1-prop-1-enyl-9H-fluorene;1,1,1-trimethoxy-2-(methoxymethyl)decane?
1-prop-1-enyl-9H-fluorene;1,1,1-trimethoxy-2-(methoxymethyl)decane has a molecular weight of 482.71 g/mol, XLogP of 7.88, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-enyl-9H-fluorene;1,1,1-trimethoxy-2-(methoxymethyl)decane is sourced from PubChem (CID 161289439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).