(6Z,8S)-3,8-dimethylundeca-1,2,6,10-tetraene

C13H20 — CID 59644089

IUPAC(6Z,8S)-3,8-dimethylundeca-1,2,6,10-tetraene
SMILESC=C=C(C)CC/C=C\[C@@H](C)CC=C
InChIInChI=1S/C13H20/c1-5-9-13(4)11-8-7-10-12(3)6-2/h5,8,11,13H,1-2,7,9-10H2,3-4H3/b11-8-/t13-/m0/s1
InChIKeyDQQYCOOVCBXRLV-ZWXCPPHNSA-N
MW176.30 g/mol
LogP4.27
Rot. Bonds6

About (6Z,8S)-3,8-dimethylundeca-1,2,6,10-tetraene

(6Z,8S)-3,8-dimethylundeca-1,2,6,10-tetraene (PubChem CID 59644089) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is (6Z,8S)-3,8-dimethylundeca-1,2,6,10-tetraene.

Molecular Properties

Compound Name(6Z,8S)-3,8-dimethylundeca-1,2,6,10-tetraene
PubChem CID59644089
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name(6Z,8S)-3,8-dimethylundeca-1,2,6,10-tetraene
SMILESC=C=C(C)CC/C=C\[C@@H](C)CC=C
InChIInChI=1S/C13H20/c1-5-9-13(4)11-8-7-10-12(3)6-2/h5,8,11,13H,1-2,7,9-10H2,3-4H3/b11-8-/t13-/m0/s1
InChIKeyDQQYCOOVCBXRLV-ZWXCPPHNSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 54.27
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

(3E)-5-methylocta-3,7-dienoic acid
CID 12676518
7-methyldeca-1,5-diene
CID 123987303
(5E)-nona-1,5-dien-4-ol
CID 10931514
4-methylhepta-2,6-dienoic acid
CID 123607563
N,N,6-trimethylnona-2,4,8-trien-2-amine
CID 123195262
4-ethyl-7-methylnona-1,5-diene
CID 123181426
acetic acid;2,4-dimethylhepta-2,6-dien-1-ol
CID 71343494
8-methylnona-1,5-diene;2-methylprop-1-ene
CID 173298827
butane;3-methylhexa-1,2-diene
CID 145158115
(2R)-2-methylpent-4-enal;(2S)-2-methylpent-4-enal
CID 159356826
(3R,4S)-2,3,4-trimethylhepta-1,6-diene
CID 144847395
2-methyldeca-1,5,9-triene
CID 163214311

Frequently Asked Questions

What is the IUPAC name of (6Z,8S)-3,8-dimethylundeca-1,2,6,10-tetraene?
The IUPAC name of (6Z,8S)-3,8-dimethylundeca-1,2,6,10-tetraene (CID 59644089) is (6Z,8S)-3,8-dimethylundeca-1,2,6,10-tetraene.
What is the SMILES notation for (6Z,8S)-3,8-dimethylundeca-1,2,6,10-tetraene?
The canonical SMILES for (6Z,8S)-3,8-dimethylundeca-1,2,6,10-tetraene is C=C=C(C)CC/C=C\[C@@H](C)CC=C.
What is the InChIKey of (6Z,8S)-3,8-dimethylundeca-1,2,6,10-tetraene?
The InChIKey is DQQYCOOVCBXRLV-ZWXCPPHNSA-N. The full InChI is InChI=1S/C13H20/c1-5-9-13(4)11-8-7-10-12(3)6-2/h5,8,11,13H,1-2,7,9-10H2,3-4H3/b11-8-/t13-/m0/s1.
What are the key properties of (6Z,8S)-3,8-dimethylundeca-1,2,6,10-tetraene?
(6Z,8S)-3,8-dimethylundeca-1,2,6,10-tetraene has a molecular weight of 176.30 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8S)-3,8-dimethylundeca-1,2,6,10-tetraene is sourced from PubChem (CID 59644089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).