heptane;6-heptan-4-yl-7,7-dimethyl-3,8-dihydro-2H-cyclopenta[g][1]benzofuran-6-ol

C27H46O2 — CID 143203313

IUPACheptane;6-heptan-4-yl-7,7-dimethyl-3,8-dihydro-2H-cyclopenta[g][1]benzofuran-6-ol
SMILESCCCC(CCC)C1(O)c2ccc3c(c2CC1(C)C)OCC3.CCCCCCC
InChIInChI=1S/C20H30O2.C7H16/c1-5-7-15(8-6-2)20(21)17-10-9-14-11-12-22-18(14)16(17)13-19(20,3)4;1-3-5-7-6-4-2/h9-10,15,21H,5-8,11-13H2,1-4H3;3-7H2,1-2H3
InChIKeyKPBHYBQOROLCMX-UHFFFAOYSA-N
MW402.66 g/mol
LogP7.58
Rot. Bonds9

About heptane;6-heptan-4-yl-7,7-dimethyl-3,8-dihydro-2H-cyclopenta[g][1]benzofuran-6-ol

heptane;6-heptan-4-yl-7,7-dimethyl-3,8-dihydro-2H-cyclopenta[g][1]benzofuran-6-ol (PubChem CID 143203313) has the molecular formula C27H46O2 and a molecular weight of 402.66 g/mol. Its IUPAC name is heptane;6-heptan-4-yl-7,7-dimethyl-3,8-dihydro-2H-cyclopenta[g][1]benzofuran-6-ol.

Molecular Properties

Compound Nameheptane;6-heptan-4-yl-7,7-dimethyl-3,8-dihydro-2H-cyclopenta[g][1]benzofuran-6-ol
PubChem CID143203313
Molecular FormulaC27H46O2
Molecular Weight402.66 g/mol
Exact Mass402.35
IUPAC Nameheptane;6-heptan-4-yl-7,7-dimethyl-3,8-dihydro-2H-cyclopenta[g][1]benzofuran-6-ol
SMILESCCCC(CCC)C1(O)c2ccc3c(c2CC1(C)C)OCC3.CCCCCCC
InChIInChI=1S/C20H30O2.C7H16/c1-5-7-15(8-6-2)20(21)17-10-9-14-11-12-22-18(14)16(17)13-19(20,3)4;1-3-5-7-6-4-2/h9-10,15,21H,5-8,11-13H2,1-4H3;3-7H2,1-2H3
InChIKeyKPBHYBQOROLCMX-UHFFFAOYSA-N
XLogP7.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.66
LogP ≤ 57.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze heptane;6-heptan-4-yl-7,7-dimethyl-3,8-dihydro-2H-cyclopenta[g][1]benzofuran-6-ol with MolForge

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Launch Full Analysis

Related Compounds

4-fluoro-1-heptan-4-yl-2,2-dimethyl-3H-inden-1-ol;heptane
CID 143203207
4-heptan-4-yl-5,5-dimethyl-6H-cyclopenta[b]thiophen-4-ol;hexane-1-thiol
CID 143203212
7-butyl-2,3-dihydro-1-benzofuran-6-ol;ethane
CID 177208439
4,7-dibromo-6-fluoro-1-heptan-4-yl-2,2-dimethyl-3H-inden-1-ol
CID 143203335
6-bromo-4-fluoro-1-heptan-4-yl-2,2,7-trimethyl-3H-inden-1-ol
CID 143203220
4-heptan-4-yl-3,3,6-trimethyl-1H-isochromen-4-ol
CID 143203236
1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethylhexan-1-one
CID 115814156
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpentan-1-one
CID 115814227
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpentan-1-amine
CID 114745766
1-butyl-4-(2,3-dihydro-1-benzofuran-7-yl)piperazine
CID 173092297
1-(2,3-dihydro-1-benzofuran-7-yl)-4-methoxycyclohexan-1-ol
CID 114743729
1-(2,3-dihydro-1-benzofuran-5-yl)hexan-1-ol
CID 61099251

Frequently Asked Questions

What is the IUPAC name of heptane;6-heptan-4-yl-7,7-dimethyl-3,8-dihydro-2H-cyclopenta[g][1]benzofuran-6-ol?
The IUPAC name of heptane;6-heptan-4-yl-7,7-dimethyl-3,8-dihydro-2H-cyclopenta[g][1]benzofuran-6-ol (CID 143203313) is heptane;6-heptan-4-yl-7,7-dimethyl-3,8-dihydro-2H-cyclopenta[g][1]benzofuran-6-ol.
What is the SMILES notation for heptane;6-heptan-4-yl-7,7-dimethyl-3,8-dihydro-2H-cyclopenta[g][1]benzofuran-6-ol?
The canonical SMILES for heptane;6-heptan-4-yl-7,7-dimethyl-3,8-dihydro-2H-cyclopenta[g][1]benzofuran-6-ol is CCCC(CCC)C1(O)c2ccc3c(c2CC1(C)C)OCC3.CCCCCCC.
What is the InChIKey of heptane;6-heptan-4-yl-7,7-dimethyl-3,8-dihydro-2H-cyclopenta[g][1]benzofuran-6-ol?
The InChIKey is KPBHYBQOROLCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O2.C7H16/c1-5-7-15(8-6-2)20(21)17-10-9-14-11-12-22-18(14)16(17)13-19(20,3)4;1-3-5-7-6-4-2/h9-10,15,21H,5-8,11-13H2,1-4H3;3-7H2,1-2H3.
What are the key properties of heptane;6-heptan-4-yl-7,7-dimethyl-3,8-dihydro-2H-cyclopenta[g][1]benzofuran-6-ol?
heptane;6-heptan-4-yl-7,7-dimethyl-3,8-dihydro-2H-cyclopenta[g][1]benzofuran-6-ol has a molecular weight of 402.66 g/mol, XLogP of 7.58, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for heptane;6-heptan-4-yl-7,7-dimethyl-3,8-dihydro-2H-cyclopenta[g][1]benzofuran-6-ol is sourced from PubChem (CID 143203313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).