(4S)-4-ethyl-3,3-dimethylhepta-1,6-diene

C11H20 — CID 59039339

IUPAC(4S)-4-ethyl-3,3-dimethylhepta-1,6-diene
SMILESC=CC[C@H](CC)C(C)(C)C=C
InChIInChI=1S/C11H20/c1-6-9-10(7-2)11(4,5)8-3/h6,8,10H,1,3,7,9H2,2,4-5H3/t10-/m0/s1
InChIKeyBQFINHNYQMKJQF-JTQLQIEISA-N
MW152.28 g/mol
LogP3.80
Rot. Bonds5

About (4S)-4-ethyl-3,3-dimethylhepta-1,6-diene

(4S)-4-ethyl-3,3-dimethylhepta-1,6-diene (PubChem CID 59039339) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is (4S)-4-ethyl-3,3-dimethylhepta-1,6-diene.

Molecular Properties

Compound Name(4S)-4-ethyl-3,3-dimethylhepta-1,6-diene
PubChem CID59039339
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name(4S)-4-ethyl-3,3-dimethylhepta-1,6-diene
SMILESC=CC[C@H](CC)C(C)(C)C=C
InChIInChI=1S/C11H20/c1-6-9-10(7-2)11(4,5)8-3/h6,8,10H,1,3,7,9H2,2,4-5H3/t10-/m0/s1
InChIKeyBQFINHNYQMKJQF-JTQLQIEISA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.80
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

ethane;3,3,4-trimethylhepta-1,6-diene
CID 142059658
ethene;4-ethylhex-1-ene
CID 159399050
4,5,6-trimethyloct-1-ene
CID 91354249
4,5-diethylhept-1-ene
CID 123746760
but-1-ene;4-methylpent-1-ene
CID 23001909
(3S)-hex-5-en-3-ol
CID 10749148
ethanol;4-methylpent-1-ene
CID 141289447
hex-5-en-3-ol
CID 158321330
2-methyl-3-prop-2-enylheptadecan-2-amine;hydrochloride
CID 173035002
but-1-ene;4-methylpent-1-ene;prop-1-ene
CID 172806960
sodium;hydride;4-methylhex-1-ene
CID 173048656
4-(2,2-dimethylpropylsulfanyl)pent-1-ene
CID 138478178

Frequently Asked Questions

What is the IUPAC name of (4S)-4-ethyl-3,3-dimethylhepta-1,6-diene?
The IUPAC name of (4S)-4-ethyl-3,3-dimethylhepta-1,6-diene (CID 59039339) is (4S)-4-ethyl-3,3-dimethylhepta-1,6-diene.
What is the SMILES notation for (4S)-4-ethyl-3,3-dimethylhepta-1,6-diene?
The canonical SMILES for (4S)-4-ethyl-3,3-dimethylhepta-1,6-diene is C=CC[C@H](CC)C(C)(C)C=C.
What is the InChIKey of (4S)-4-ethyl-3,3-dimethylhepta-1,6-diene?
The InChIKey is BQFINHNYQMKJQF-JTQLQIEISA-N. The full InChI is InChI=1S/C11H20/c1-6-9-10(7-2)11(4,5)8-3/h6,8,10H,1,3,7,9H2,2,4-5H3/t10-/m0/s1.
What are the key properties of (4S)-4-ethyl-3,3-dimethylhepta-1,6-diene?
(4S)-4-ethyl-3,3-dimethylhepta-1,6-diene has a molecular weight of 152.28 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-ethyl-3,3-dimethylhepta-1,6-diene is sourced from PubChem (CID 59039339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).