(3S)-2'-methyl-3-propylspiro[cyclohexane-1,9'-fluorene]

C22H26 — CID 143093032

IUPAC(3S)-2'-methyl-3-propylspiro[cyclohexane-1,9'-fluorene]
SMILESCCC[C@H]1CCCC2(C1)c1ccccc1-c1ccc(C)cc12
InChIInChI=1S/C22H26/c1-3-7-17-8-6-13-22(15-17)20-10-5-4-9-18(20)19-12-11-16(2)14-21(19)22/h4-5,9-12,14,17H,3,6-8,13,15H2,1-2H3/t17-,22?/m0/s1
InChIKeyQEFUKWYZYSDAJZ-LBOXEOMUSA-N
MW290.45 g/mol
LogP6.25
Rot. Bonds2

About (3S)-2'-methyl-3-propylspiro[cyclohexane-1,9'-fluorene]

(3S)-2'-methyl-3-propylspiro[cyclohexane-1,9'-fluorene] (PubChem CID 143093032) has the molecular formula C22H26 and a molecular weight of 290.45 g/mol. Its IUPAC name is (3S)-2'-methyl-3-propylspiro[cyclohexane-1,9'-fluorene].

Molecular Properties

Compound Name(3S)-2'-methyl-3-propylspiro[cyclohexane-1,9'-fluorene]
PubChem CID143093032
Molecular FormulaC22H26
Molecular Weight290.45 g/mol
Exact Mass290.20
IUPAC Name(3S)-2'-methyl-3-propylspiro[cyclohexane-1,9'-fluorene]
SMILESCCC[C@H]1CCCC2(C1)c1ccccc1-c1ccc(C)cc12
InChIInChI=1S/C22H26/c1-3-7-17-8-6-13-22(15-17)20-10-5-4-9-18(20)19-12-11-16(2)14-21(19)22/h4-5,9-12,14,17H,3,6-8,13,15H2,1-2H3/t17-,22?/m0/s1
InChIKeyQEFUKWYZYSDAJZ-LBOXEOMUSA-N
XLogP6.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (3S)-2'-methyl-3-propylspiro[cyclohexane-1,9'-fluorene]?
The IUPAC name of (3S)-2'-methyl-3-propylspiro[cyclohexane-1,9'-fluorene] (CID 143093032) is (3S)-2'-methyl-3-propylspiro[cyclohexane-1,9'-fluorene].
What is the SMILES notation for (3S)-2'-methyl-3-propylspiro[cyclohexane-1,9'-fluorene]?
The canonical SMILES for (3S)-2'-methyl-3-propylspiro[cyclohexane-1,9'-fluorene] is CCC[C@H]1CCCC2(C1)c1ccccc1-c1ccc(C)cc12.
What is the InChIKey of (3S)-2'-methyl-3-propylspiro[cyclohexane-1,9'-fluorene]?
The InChIKey is QEFUKWYZYSDAJZ-LBOXEOMUSA-N. The full InChI is InChI=1S/C22H26/c1-3-7-17-8-6-13-22(15-17)20-10-5-4-9-18(20)19-12-11-16(2)14-21(19)22/h4-5,9-12,14,17H,3,6-8,13,15H2,1-2H3/t17-,22?/m0/s1.
What are the key properties of (3S)-2'-methyl-3-propylspiro[cyclohexane-1,9'-fluorene]?
(3S)-2'-methyl-3-propylspiro[cyclohexane-1,9'-fluorene] has a molecular weight of 290.45 g/mol, XLogP of 6.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2'-methyl-3-propylspiro[cyclohexane-1,9'-fluorene] is sourced from PubChem (CID 143093032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).