(4S,5S)-5-methyl-4-propan-2-ylhept-1-ene

C11H22 — CID 59039366

IUPAC(4S,5S)-5-methyl-4-propan-2-ylhept-1-ene
SMILESC=CC[C@@H](C(C)C)[C@@H](C)CC
InChIInChI=1S/C11H22/c1-6-8-11(9(3)4)10(5)7-2/h6,9-11H,1,7-8H2,2-5H3/t10-,11-/m0/s1
InChIKeyOIQNZXGVSQXARS-QWRGUYRKSA-N
MW154.30 g/mol
LogP3.88
Rot. Bonds5

About (4S,5S)-5-methyl-4-propan-2-ylhept-1-ene

(4S,5S)-5-methyl-4-propan-2-ylhept-1-ene (PubChem CID 59039366) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is (4S,5S)-5-methyl-4-propan-2-ylhept-1-ene.

Molecular Properties

Compound Name(4S,5S)-5-methyl-4-propan-2-ylhept-1-ene
PubChem CID59039366
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name(4S,5S)-5-methyl-4-propan-2-ylhept-1-ene
SMILESC=CC[C@@H](C(C)C)[C@@H](C)CC
InChIInChI=1S/C11H22/c1-6-8-11(9(3)4)10(5)7-2/h6,9-11H,1,7-8H2,2-5H3/t10-,11-/m0/s1
InChIKeyOIQNZXGVSQXARS-QWRGUYRKSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 53.88
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

(3S)-4-propan-2-ylhept-6-en-3-ol
CID 59039473
4,5,6-trimethyloct-1-ene
CID 91354249
(2S,3R)-3-propan-2-ylhex-5-en-2-ol
CID 59911359
(4S)-3-ethyl-2,4-dimethylhexane
CID 59911226
(4R,5R,6R)-5-ethyl-N,6-dimethyloct-1-en-4-amine
CID 138636088
(4S,5S)-5-ethyl-6-methylhept-1-en-4-ol
CID 59076573
methane;(2S,3R)-3-propan-2-ylhex-5-en-2-ol
CID 160589694
methane;(4S,5R)-5-propan-2-ylocta-1,7-dien-4-ol
CID 157073054
4-ethyl-5,6-dimethyloct-1-ene
CID 123882592
4-propan-2-ylhepta-1,6-diene
CID 14140894
(4S)-3-methyl-4-propan-2-ylheptane
CID 59076556
5-ethyl-4-methylnon-1-ene
CID 22027489

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-methyl-4-propan-2-ylhept-1-ene?
The IUPAC name of (4S,5S)-5-methyl-4-propan-2-ylhept-1-ene (CID 59039366) is (4S,5S)-5-methyl-4-propan-2-ylhept-1-ene.
What is the SMILES notation for (4S,5S)-5-methyl-4-propan-2-ylhept-1-ene?
The canonical SMILES for (4S,5S)-5-methyl-4-propan-2-ylhept-1-ene is C=CC[C@@H](C(C)C)[C@@H](C)CC.
What is the InChIKey of (4S,5S)-5-methyl-4-propan-2-ylhept-1-ene?
The InChIKey is OIQNZXGVSQXARS-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H22/c1-6-8-11(9(3)4)10(5)7-2/h6,9-11H,1,7-8H2,2-5H3/t10-,11-/m0/s1.
What are the key properties of (4S,5S)-5-methyl-4-propan-2-ylhept-1-ene?
(4S,5S)-5-methyl-4-propan-2-ylhept-1-ene has a molecular weight of 154.30 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-methyl-4-propan-2-ylhept-1-ene is sourced from PubChem (CID 59039366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).