9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene-2-carbonyl chloride

C16H25ClO — CID 140510781

IUPAC9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene-2-carbonyl chloride
SMILESCC1(C)C2CCCCC2C2CCC(C(=O)Cl)CC21
InChIInChI=1S/C16H25ClO/c1-16(2)13-6-4-3-5-11(13)12-8-7-10(15(17)18)9-14(12)16/h10-14H,3-9H2,1-2H3
InChIKeyLYUZGVBGBAHYTI-UHFFFAOYSA-N
MW268.83 g/mol
LogP4.63
Rot. Bonds1

About 9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene-2-carbonyl chloride

9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene-2-carbonyl chloride (PubChem CID 140510781) has the molecular formula C16H25ClO and a molecular weight of 268.83 g/mol. Its IUPAC name is 9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene-2-carbonyl chloride.

Molecular Properties

Compound Name9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene-2-carbonyl chloride
PubChem CID140510781
Molecular FormulaC16H25ClO
Molecular Weight268.83 g/mol
Exact Mass268.16
IUPAC Name9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene-2-carbonyl chloride
SMILESCC1(C)C2CCCCC2C2CCC(C(=O)Cl)CC21
InChIInChI=1S/C16H25ClO/c1-16(2)13-6-4-3-5-11(13)12-8-7-10(15(17)18)9-14(12)16/h10-14H,3-9H2,1-2H3
InChIKeyLYUZGVBGBAHYTI-UHFFFAOYSA-N
XLogP4.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.83
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene-2-carbonyl chloride with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene-2-carbonyl chloride?
The IUPAC name of 9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene-2-carbonyl chloride (CID 140510781) is 9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene-2-carbonyl chloride.
What is the SMILES notation for 9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene-2-carbonyl chloride?
The canonical SMILES for 9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene-2-carbonyl chloride is CC1(C)C2CCCCC2C2CCC(C(=O)Cl)CC21.
What is the InChIKey of 9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene-2-carbonyl chloride?
The InChIKey is LYUZGVBGBAHYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClO/c1-16(2)13-6-4-3-5-11(13)12-8-7-10(15(17)18)9-14(12)16/h10-14H,3-9H2,1-2H3.
What are the key properties of 9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene-2-carbonyl chloride?
9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene-2-carbonyl chloride has a molecular weight of 268.83 g/mol, XLogP of 4.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene-2-carbonyl chloride is sourced from PubChem (CID 140510781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).