(4Z)-3-chloro-3-methylnona-1,4-dien-4-ol

C10H17ClO — CID 141027000

IUPAC(4Z)-3-chloro-3-methylnona-1,4-dien-4-ol
SMILESC=CC(C)(Cl)/C(O)=C/CCCC
InChIInChI=1S/C10H17ClO/c1-4-6-7-8-9(12)10(3,11)5-2/h5,8,12H,2,4,6-7H2,1,3H3/b9-8-
InChIKeyKIMZRVWOIUXARK-HJWRWDBZSA-N
MW188.70 g/mol
LogP3.80
Rot. Bonds5

About (4Z)-3-chloro-3-methylnona-1,4-dien-4-ol

(4Z)-3-chloro-3-methylnona-1,4-dien-4-ol (PubChem CID 141027000) has the molecular formula C10H17ClO and a molecular weight of 188.70 g/mol. Its IUPAC name is (4Z)-3-chloro-3-methylnona-1,4-dien-4-ol.

Molecular Properties

Compound Name(4Z)-3-chloro-3-methylnona-1,4-dien-4-ol
PubChem CID141027000
Molecular FormulaC10H17ClO
Molecular Weight188.70 g/mol
Exact Mass188.10
IUPAC Name(4Z)-3-chloro-3-methylnona-1,4-dien-4-ol
SMILESC=CC(C)(Cl)/C(O)=C/CCCC
InChIInChI=1S/C10H17ClO/c1-4-6-7-8-9(12)10(3,11)5-2/h5,8,12H,2,4,6-7H2,1,3H3/b9-8-
InChIKeyKIMZRVWOIUXARK-HJWRWDBZSA-N
XLogP3.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.70
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-1,1,1-trichlorohex-2-en-2-ol
CID 88736650
(E)-2,2-dimethyloct-3-enoic acid
CID 18786053
acetic acid;ethene;hex-1-ene
CID 174309563
buta-1,3-diene;(E)-2-methylhept-2-enoic acid
CID 87527009
2-(chloromethyl)hept-2-enoic acid
CID 57071249
(Z)-1,2-dichlorohept-2-ene
CID 55302648
3,7-dimethylocta-1,6-dien-3-ol;hexane
CID 135305503
(E)-2,2,4-trimethylnon-4-en-3-one
CID 24828917
hex-1-ene;zinc
CID 174554611
(3E)-3-methylnona-1,3-diene
CID 13382655
(Z)-but-2-enedioic acid;hex-1-ene
CID 88803963
undec-1-ene-1,1-diol
CID 87556705

Frequently Asked Questions

What is the IUPAC name of (4Z)-3-chloro-3-methylnona-1,4-dien-4-ol?
The IUPAC name of (4Z)-3-chloro-3-methylnona-1,4-dien-4-ol (CID 141027000) is (4Z)-3-chloro-3-methylnona-1,4-dien-4-ol.
What is the SMILES notation for (4Z)-3-chloro-3-methylnona-1,4-dien-4-ol?
The canonical SMILES for (4Z)-3-chloro-3-methylnona-1,4-dien-4-ol is C=CC(C)(Cl)/C(O)=C/CCCC.
What is the InChIKey of (4Z)-3-chloro-3-methylnona-1,4-dien-4-ol?
The InChIKey is KIMZRVWOIUXARK-HJWRWDBZSA-N. The full InChI is InChI=1S/C10H17ClO/c1-4-6-7-8-9(12)10(3,11)5-2/h5,8,12H,2,4,6-7H2,1,3H3/b9-8-.
What are the key properties of (4Z)-3-chloro-3-methylnona-1,4-dien-4-ol?
(4Z)-3-chloro-3-methylnona-1,4-dien-4-ol has a molecular weight of 188.70 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-3-chloro-3-methylnona-1,4-dien-4-ol is sourced from PubChem (CID 141027000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).