3-(chloromethyl)-3-(2,3-dihydro-1H-inden-5-ylmethyl)oxane

C16H21ClO — CID 66036644

IUPAC3-(chloromethyl)-3-(2,3-dihydro-1H-inden-5-ylmethyl)oxane
SMILESClCC1(Cc2ccc3c(c2)CCC3)CCCOC1
InChIInChI=1S/C16H21ClO/c17-11-16(7-2-8-18-12-16)10-13-5-6-14-3-1-4-15(14)9-13/h5-6,9H,1-4,7-8,10-12H2
InChIKeyWLYHGGYYBDLBBC-UHFFFAOYSA-N
MW264.80 g/mol
LogP3.75
Rot. Bonds3

About 3-(chloromethyl)-3-(2,3-dihydro-1H-inden-5-ylmethyl)oxane

3-(chloromethyl)-3-(2,3-dihydro-1H-inden-5-ylmethyl)oxane (PubChem CID 66036644) has the molecular formula C16H21ClO and a molecular weight of 264.80 g/mol. Its IUPAC name is 3-(chloromethyl)-3-(2,3-dihydro-1H-inden-5-ylmethyl)oxane.

Molecular Properties

Compound Name3-(chloromethyl)-3-(2,3-dihydro-1H-inden-5-ylmethyl)oxane
PubChem CID66036644
Molecular FormulaC16H21ClO
Molecular Weight264.80 g/mol
Exact Mass264.13
IUPAC Name3-(chloromethyl)-3-(2,3-dihydro-1H-inden-5-ylmethyl)oxane
SMILESClCC1(Cc2ccc3c(c2)CCC3)CCCOC1
InChIInChI=1S/C16H21ClO/c17-11-16(7-2-8-18-12-16)10-13-5-6-14-3-1-4-15(14)9-13/h5-6,9H,1-4,7-8,10-12H2
InChIKeyWLYHGGYYBDLBBC-UHFFFAOYSA-N
XLogP3.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 66033688
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CID 66036401
4-(chloromethyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)oxan-4-amine
CID 106299678
4-(chloromethyl)-4-[(3,4-dichlorophenyl)methyl]oxane
CID 66035545
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3-(bromomethyl)-3-[(4-tert-butylphenyl)methyl]oxane
CID 66043066
2-chloro-4-[[1-(chloromethyl)cyclobutyl]methyl]-1-fluorobenzene
CID 103042016
2-(2,3-dihydro-1H-inden-5-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
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1,2-dichloro-4-[[1-(chloromethyl)cyclopropyl]methyl]benzene
CID 66033323
1-(3,4-dihydro-1H-isochromen-7-ylmethyl)cyclopropan-1-ol
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3-(chloromethyl)-5,6,7,8,9,10-hexahydrobenzo[8]annulene
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Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-3-(2,3-dihydro-1H-inden-5-ylmethyl)oxane?
The IUPAC name of 3-(chloromethyl)-3-(2,3-dihydro-1H-inden-5-ylmethyl)oxane (CID 66036644) is 3-(chloromethyl)-3-(2,3-dihydro-1H-inden-5-ylmethyl)oxane.
What is the SMILES notation for 3-(chloromethyl)-3-(2,3-dihydro-1H-inden-5-ylmethyl)oxane?
The canonical SMILES for 3-(chloromethyl)-3-(2,3-dihydro-1H-inden-5-ylmethyl)oxane is ClCC1(Cc2ccc3c(c2)CCC3)CCCOC1.
What is the InChIKey of 3-(chloromethyl)-3-(2,3-dihydro-1H-inden-5-ylmethyl)oxane?
The InChIKey is WLYHGGYYBDLBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClO/c17-11-16(7-2-8-18-12-16)10-13-5-6-14-3-1-4-15(14)9-13/h5-6,9H,1-4,7-8,10-12H2.
What are the key properties of 3-(chloromethyl)-3-(2,3-dihydro-1H-inden-5-ylmethyl)oxane?
3-(chloromethyl)-3-(2,3-dihydro-1H-inden-5-ylmethyl)oxane has a molecular weight of 264.80 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-3-(2,3-dihydro-1H-inden-5-ylmethyl)oxane is sourced from PubChem (CID 66036644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).