1-chloro-4,8-dimethyl-1-trimethylsilylnon-7-en-2-ol

C14H29ClOSi — CID 135075472

IUPAC1-chloro-4,8-dimethyl-1-trimethylsilylnon-7-en-2-ol
SMILESCC(C)=CCCC(C)CC(O)C(Cl)[Si](C)(C)C
InChIInChI=1S/C14H29ClOSi/c1-11(2)8-7-9-12(3)10-13(16)14(15)17(4,5)6/h8,12-14,16H,7,9-10H2,1-6H3
InChIKeyUBLZYNQTJVOMIJ-UHFFFAOYSA-N
MW276.92 g/mol
LogP4.60
Rot. Bonds7

About 1-chloro-4,8-dimethyl-1-trimethylsilylnon-7-en-2-ol

1-chloro-4,8-dimethyl-1-trimethylsilylnon-7-en-2-ol (PubChem CID 135075472) has the molecular formula C14H29ClOSi and a molecular weight of 276.92 g/mol. Its IUPAC name is 1-chloro-4,8-dimethyl-1-trimethylsilylnon-7-en-2-ol.

Molecular Properties

Compound Name1-chloro-4,8-dimethyl-1-trimethylsilylnon-7-en-2-ol
PubChem CID135075472
Molecular FormulaC14H29ClOSi
Molecular Weight276.92 g/mol
Exact Mass276.17
IUPAC Name1-chloro-4,8-dimethyl-1-trimethylsilylnon-7-en-2-ol
SMILESCC(C)=CCCC(C)CC(O)C(Cl)[Si](C)(C)C
InChIInChI=1S/C14H29ClOSi/c1-11(2)8-7-9-12(3)10-13(16)14(15)17(4,5)6/h8,12-14,16H,7,9-10H2,1-6H3
InChIKeyUBLZYNQTJVOMIJ-UHFFFAOYSA-N
XLogP4.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.92
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-2-chloro-3,7-dimethyloct-6-en-1-ol
CID 124706434
(4R,6S)-2-(chloromethyl)-6,10-dimethylundeca-1,9-dien-4-ol
CID 138977954
1,1,1-Trichloro-4,8-dimethylnon-7-en-2-ol
CID 13434521
1,1-Dichloro-4,8-dimethyl-7-nonen-2-ol
CID 24976966
(2R,6R)-1-chloro-6,10-dimethyl-5-methylideneundec-9-en-2-ol
CID 101861103
(E)-12-chloro-5-ethyl-8-methyldodec-7-en-6-ol
CID 102146482
(2R,3R)-2-chloro-3,7-dimethyloct-6-en-1-ol
CID 124706401

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4,8-dimethyl-1-trimethylsilylnon-7-en-2-ol?
The IUPAC name of 1-chloro-4,8-dimethyl-1-trimethylsilylnon-7-en-2-ol (CID 135075472) is 1-chloro-4,8-dimethyl-1-trimethylsilylnon-7-en-2-ol.
What is the SMILES notation for 1-chloro-4,8-dimethyl-1-trimethylsilylnon-7-en-2-ol?
The canonical SMILES for 1-chloro-4,8-dimethyl-1-trimethylsilylnon-7-en-2-ol is CC(C)=CCCC(C)CC(O)C(Cl)[Si](C)(C)C.
What is the InChIKey of 1-chloro-4,8-dimethyl-1-trimethylsilylnon-7-en-2-ol?
The InChIKey is UBLZYNQTJVOMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29ClOSi/c1-11(2)8-7-9-12(3)10-13(16)14(15)17(4,5)6/h8,12-14,16H,7,9-10H2,1-6H3.
What are the key properties of 1-chloro-4,8-dimethyl-1-trimethylsilylnon-7-en-2-ol?
1-chloro-4,8-dimethyl-1-trimethylsilylnon-7-en-2-ol has a molecular weight of 276.92 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4,8-dimethyl-1-trimethylsilylnon-7-en-2-ol is sourced from PubChem (CID 135075472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).