9,9-bis[(5S)-5-methylheptyl]fluorene

C29H42 — CID 101194552

IUPAC9,9-bis[(5S)-5-methylheptyl]fluorene
SMILESCC[C@H](C)CCCCC1(CCCC[C@@H](C)CC)c2ccccc2-c2ccccc21
InChIInChI=1S/C29H42/c1-5-23(3)15-11-13-21-29(22-14-12-16-24(4)6-2)27-19-9-7-17-25(27)26-18-8-10-20-28(26)29/h7-10,17-20,23-24H,5-6,11-16,21-22H2,1-4H3/t23-,24-/m0/s1
InChIKeyXRXDEAYZQQIJEM-ZEQRLZLVSA-N
MW390.66 g/mol
LogP9.17
Rot. Bonds12

About 9,9-bis[(5S)-5-methylheptyl]fluorene

9,9-bis[(5S)-5-methylheptyl]fluorene (PubChem CID 101194552) has the molecular formula C29H42 and a molecular weight of 390.66 g/mol. Its IUPAC name is 9,9-bis[(5S)-5-methylheptyl]fluorene.

Molecular Properties

Compound Name9,9-bis[(5S)-5-methylheptyl]fluorene
PubChem CID101194552
Molecular FormulaC29H42
Molecular Weight390.66 g/mol
Exact Mass390.33
IUPAC Name9,9-bis[(5S)-5-methylheptyl]fluorene
SMILESCC[C@H](C)CCCCC1(CCCC[C@@H](C)CC)c2ccccc2-c2ccccc21
InChIInChI=1S/C29H42/c1-5-23(3)15-11-13-21-29(22-14-12-16-24(4)6-2)27-19-9-7-17-25(27)26-18-8-10-20-28(26)29/h7-10,17-20,23-24H,5-6,11-16,21-22H2,1-4H3/t23-,24-/m0/s1
InChIKeyXRXDEAYZQQIJEM-ZEQRLZLVSA-N
XLogP9.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.66
LogP ≤ 59.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9,9-bis[(5S)-5-methylheptyl]fluorene?
The IUPAC name of 9,9-bis[(5S)-5-methylheptyl]fluorene (CID 101194552) is 9,9-bis[(5S)-5-methylheptyl]fluorene.
What is the SMILES notation for 9,9-bis[(5S)-5-methylheptyl]fluorene?
The canonical SMILES for 9,9-bis[(5S)-5-methylheptyl]fluorene is CC[C@H](C)CCCCC1(CCCC[C@@H](C)CC)c2ccccc2-c2ccccc21.
What is the InChIKey of 9,9-bis[(5S)-5-methylheptyl]fluorene?
The InChIKey is XRXDEAYZQQIJEM-ZEQRLZLVSA-N. The full InChI is InChI=1S/C29H42/c1-5-23(3)15-11-13-21-29(22-14-12-16-24(4)6-2)27-19-9-7-17-25(27)26-18-8-10-20-28(26)29/h7-10,17-20,23-24H,5-6,11-16,21-22H2,1-4H3/t23-,24-/m0/s1.
What are the key properties of 9,9-bis[(5S)-5-methylheptyl]fluorene?
9,9-bis[(5S)-5-methylheptyl]fluorene has a molecular weight of 390.66 g/mol, XLogP of 9.17, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis[(5S)-5-methylheptyl]fluorene is sourced from PubChem (CID 101194552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).