(6Z)-2-methyl-4-propan-2-ylnona-1,6-diene

C13H24 — CID 142222951

IUPAC(6Z)-2-methyl-4-propan-2-ylnona-1,6-diene
SMILESC=C(C)CC(C/C=C\CC)C(C)C
InChIInChI=1S/C13H24/c1-6-7-8-9-13(12(4)5)10-11(2)3/h7-8,12-13H,2,6,9-10H2,1,3-5H3/b8-7-
InChIKeyXAQVMVZIPOUKHG-FPLPWBNLSA-N
MW180.33 g/mol
LogP4.58
Rot. Bonds6

About (6Z)-2-methyl-4-propan-2-ylnona-1,6-diene

(6Z)-2-methyl-4-propan-2-ylnona-1,6-diene (PubChem CID 142222951) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is (6Z)-2-methyl-4-propan-2-ylnona-1,6-diene.

Molecular Properties

Compound Name(6Z)-2-methyl-4-propan-2-ylnona-1,6-diene
PubChem CID142222951
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name(6Z)-2-methyl-4-propan-2-ylnona-1,6-diene
SMILESC=C(C)CC(C/C=C\CC)C(C)C
InChIInChI=1S/C13H24/c1-6-7-8-9-13(12(4)5)10-11(2)3/h7-8,12-13H,2,6,9-10H2,1,3-5H3/b8-7-
InChIKeyXAQVMVZIPOUKHG-FPLPWBNLSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 123598746
5-ethyl-2,4-dimethylhept-1-ene
CID 90728218
N-[N-ethenyl-C-[(Z)-2-propan-2-ylhept-4-enyl]carbonimidoyl]benzamide
CID 167022049
4-ethylnon-6-en-2-one
CID 59068753
6,9-dimethylundec-3-ene
CID 90927797
2,7-dimethylocta-1,4-diene
CID 91198698
(5Z)-2,8,9-trimethyldeca-1,5-diene
CID 142222870
2,4-dimethylpent-1-ene;ethane
CID 143336990
2,6,7-trimethylocta-1,3-diene
CID 123885530
(E,2S,4S)-non-6-ene-2,4-diol
CID 102156036
2,5-dimethylhex-5-en-3-amine
CID 79177176
10-methylundeca-3,7-diene
CID 91333064

Frequently Asked Questions

What is the IUPAC name of (6Z)-2-methyl-4-propan-2-ylnona-1,6-diene?
The IUPAC name of (6Z)-2-methyl-4-propan-2-ylnona-1,6-diene (CID 142222951) is (6Z)-2-methyl-4-propan-2-ylnona-1,6-diene.
What is the SMILES notation for (6Z)-2-methyl-4-propan-2-ylnona-1,6-diene?
The canonical SMILES for (6Z)-2-methyl-4-propan-2-ylnona-1,6-diene is C=C(C)CC(C/C=C\CC)C(C)C.
What is the InChIKey of (6Z)-2-methyl-4-propan-2-ylnona-1,6-diene?
The InChIKey is XAQVMVZIPOUKHG-FPLPWBNLSA-N. The full InChI is InChI=1S/C13H24/c1-6-7-8-9-13(12(4)5)10-11(2)3/h7-8,12-13H,2,6,9-10H2,1,3-5H3/b8-7-.
What are the key properties of (6Z)-2-methyl-4-propan-2-ylnona-1,6-diene?
(6Z)-2-methyl-4-propan-2-ylnona-1,6-diene has a molecular weight of 180.33 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-2-methyl-4-propan-2-ylnona-1,6-diene is sourced from PubChem (CID 142222951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).