3-(chloromethyl)non-1-yn-3-ol

C10H17ClO — CID 90119781

IUPAC3-(chloromethyl)non-1-yn-3-ol
SMILESC#CC(O)(CCl)CCCCCC
InChIInChI=1S/C10H17ClO/c1-3-5-6-7-8-10(12,4-2)9-11/h2,12H,3,5-9H2,1H3
InChIKeyDNFADZGEFMUVFX-UHFFFAOYSA-N
MW188.70 g/mol
LogP2.56
Rot. Bonds6

About 3-(chloromethyl)non-1-yn-3-ol

3-(chloromethyl)non-1-yn-3-ol (PubChem CID 90119781) has the molecular formula C10H17ClO and a molecular weight of 188.70 g/mol. Its IUPAC name is 3-(chloromethyl)non-1-yn-3-ol.

Molecular Properties

Compound Name3-(chloromethyl)non-1-yn-3-ol
PubChem CID90119781
Molecular FormulaC10H17ClO
Molecular Weight188.70 g/mol
Exact Mass188.10
IUPAC Name3-(chloromethyl)non-1-yn-3-ol
SMILESC#CC(O)(CCl)CCCCCC
InChIInChI=1S/C10H17ClO/c1-3-5-6-7-8-10(12,4-2)9-11/h2,12H,3,5-9H2,1H3
InChIKeyDNFADZGEFMUVFX-UHFFFAOYSA-N
XLogP2.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.70
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tritriacontane-15,15,16,16-tetrol
CID 19863089
(2S)-2-(chloromethyl)hexadecane-1,2-diol
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(2S)-2-(chloromethyl)tridecane-1,2-diol
CID 11265568
4-methyldec-1-yn-4-ol
CID 12573338
3-ethynyl-2-methyloct-1-en-3-ol
CID 71390392
triacontane-1,1,1-triol
CID 87376487
docosane-10,10-diol
CID 20528880
7-hexylhexadecan-7-ol
CID 141253911
1,1,1-trichlorononane
CID 6420387
9-octyloctadecan-9-ol
CID 150674168
7-pentylpentadecan-7-ol
CID 12913436
dodecane-1,1,1-triol
CID 22412604

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)non-1-yn-3-ol?
The IUPAC name of 3-(chloromethyl)non-1-yn-3-ol (CID 90119781) is 3-(chloromethyl)non-1-yn-3-ol.
What is the SMILES notation for 3-(chloromethyl)non-1-yn-3-ol?
The canonical SMILES for 3-(chloromethyl)non-1-yn-3-ol is C#CC(O)(CCl)CCCCCC.
What is the InChIKey of 3-(chloromethyl)non-1-yn-3-ol?
The InChIKey is DNFADZGEFMUVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClO/c1-3-5-6-7-8-10(12,4-2)9-11/h2,12H,3,5-9H2,1H3.
What are the key properties of 3-(chloromethyl)non-1-yn-3-ol?
3-(chloromethyl)non-1-yn-3-ol has a molecular weight of 188.70 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)non-1-yn-3-ol is sourced from PubChem (CID 90119781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).