2',7'-dimethylspiro[cyclotetradecane-1,9'-fluorene]

C28H38 — CID 59318763

IUPAC2',7'-dimethylspiro[cyclotetradecane-1,9'-fluorene]
SMILESCc1ccc2c(c1)C1(CCCCCCCCCCCCC1)c1cc(C)ccc1-2
InChIInChI=1S/C28H38/c1-22-14-16-24-25-17-15-23(2)21-27(25)28(26(24)20-22)18-12-10-8-6-4-3-5-7-9-11-13-19-28/h14-17,20-21H,3-13,18-19H2,1-2H3
InChIKeyNMKLQBGOLJYLBN-UHFFFAOYSA-N
MW374.61 g/mol
LogP8.65
Rot. Bonds

About 2',7'-dimethylspiro[cyclotetradecane-1,9'-fluorene]

2',7'-dimethylspiro[cyclotetradecane-1,9'-fluorene] (PubChem CID 59318763) has the molecular formula C28H38 and a molecular weight of 374.61 g/mol. Its IUPAC name is 2',7'-dimethylspiro[cyclotetradecane-1,9'-fluorene].

Molecular Properties

Compound Name2',7'-dimethylspiro[cyclotetradecane-1,9'-fluorene]
PubChem CID59318763
Molecular FormulaC28H38
Molecular Weight374.61 g/mol
Exact Mass374.30
IUPAC Name2',7'-dimethylspiro[cyclotetradecane-1,9'-fluorene]
SMILESCc1ccc2c(c1)C1(CCCCCCCCCCCCC1)c1cc(C)ccc1-2
InChIInChI=1S/C28H38/c1-22-14-16-24-25-17-15-23(2)21-27(25)28(26(24)20-22)18-12-10-8-6-4-3-5-7-9-11-13-19-28/h14-17,20-21H,3-13,18-19H2,1-2H3
InChIKeyNMKLQBGOLJYLBN-UHFFFAOYSA-N
XLogP8.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.61
LogP ≤ 58.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2',7'-dimethylspiro[cyclooctane-1,9'-fluorene];2',7'-dimethylspiro[2H-indene-3,9'-fluorene]-1-one;2'-methylspiro[2H-indene-3,9'-fluorene]-1-one
CID 159075202
6'-methyl-2',3'-dipropylspiro[cycloheptane-1,1'-indene]
CID 102588930
(1S,2R)-2',7'-dimethylspiro[cyclopentane-4,9'-fluorene]-1,2-diol
CID 155076011
(1Z)-2',7'-dimethylspiro[cyclooctene-3,9'-fluorene]
CID 59318731
2-bromo-7-methylspiro[fluorene-9,4'-piperidine]
CID 122492124
2'-methylspiro[cyclohexane-1,9'-thioxanthene]
CID 69166832
5-methyl-2-methylidenespiro[1H-indole-3,1'-cyclopentane]
CID 22953154
2,7,9,9-tetramethylfluorene
CID 22951928
2'-tert-butylspiro[cyclohexane-1,9'-fluorene]
CID 168798514
3'-(4-methylphenyl)spiro[cyclopentane-1,9'-fluorene]
CID 58389877
N-(3-methylphenyl)-N-propan-2-ylspiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 59308398
1-(5-methyl-2-phenylphenyl)cyclohexane-1-carbaldehyde
CID 155662947

Frequently Asked Questions

What is the IUPAC name of 2',7'-dimethylspiro[cyclotetradecane-1,9'-fluorene]?
The IUPAC name of 2',7'-dimethylspiro[cyclotetradecane-1,9'-fluorene] (CID 59318763) is 2',7'-dimethylspiro[cyclotetradecane-1,9'-fluorene].
What is the SMILES notation for 2',7'-dimethylspiro[cyclotetradecane-1,9'-fluorene]?
The canonical SMILES for 2',7'-dimethylspiro[cyclotetradecane-1,9'-fluorene] is Cc1ccc2c(c1)C1(CCCCCCCCCCCCC1)c1cc(C)ccc1-2.
What is the InChIKey of 2',7'-dimethylspiro[cyclotetradecane-1,9'-fluorene]?
The InChIKey is NMKLQBGOLJYLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38/c1-22-14-16-24-25-17-15-23(2)21-27(25)28(26(24)20-22)18-12-10-8-6-4-3-5-7-9-11-13-19-28/h14-17,20-21H,3-13,18-19H2,1-2H3.
What are the key properties of 2',7'-dimethylspiro[cyclotetradecane-1,9'-fluorene]?
2',7'-dimethylspiro[cyclotetradecane-1,9'-fluorene] has a molecular weight of 374.61 g/mol, XLogP of 8.65, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2',7'-dimethylspiro[cyclotetradecane-1,9'-fluorene] is sourced from PubChem (CID 59318763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).