sodium;hydride;4-methylhex-1-ene

C7H15Na — CID 173048656

IUPACsodium;hydride;4-methylhex-1-ene
SMILESC=CCC(C)CC.[H-].[Na+]
InChIInChI=1S/C7H14.Na.H/c1-4-6-7(3)5-2;;/h4,7H,1,5-6H2,2-3H3;;/q;+1;-1
InChIKeyRWQTTXXWXQZNQS-UHFFFAOYSA-N
MW122.19 g/mol
LogP-0.27
Rot. Bonds3

About sodium;hydride;4-methylhex-1-ene

sodium;hydride;4-methylhex-1-ene (PubChem CID 173048656) has the molecular formula C7H15Na and a molecular weight of 122.19 g/mol. Its IUPAC name is sodium;hydride;4-methylhex-1-ene.

Molecular Properties

Compound Namesodium;hydride;4-methylhex-1-ene
PubChem CID173048656
Molecular FormulaC7H15Na
Molecular Weight122.19 g/mol
Exact Mass122.11
IUPAC Namesodium;hydride;4-methylhex-1-ene
SMILESC=CCC(C)CC.[H-].[Na+]
InChIInChI=1S/C7H14.Na.H/c1-4-6-7(3)5-2;;/h4,7H,1,5-6H2,2-3H3;;/q;+1;-1
InChIKeyRWQTTXXWXQZNQS-UHFFFAOYSA-N
XLogP-0.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.19
LogP ≤ 5-0.27
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

4,6,10-trimethyldodec-1-ene
CID 123808397
(4S)-5-iodo-4-methylpent-1-ene
CID 101059144
methanol;(2S)-2-methylpent-4-en-1-ol
CID 143099829
3,9-dimethylundeca-1,6-diene
CID 173245384
N-ethyl-N,2-dimethylpent-4-en-1-amine
CID 139352372
4-ethyl-7-methylnona-1,5-diene
CID 123181426
4,5,6-trimethyloct-1-ene
CID 91354249
ethane;4-methylocta-1,7-diene
CID 144616064
(4S,5S)-5-methyl-4-propan-2-ylhept-1-ene
CID 59039366
methyl-bis(2-methylpent-4-enyl)silane
CID 123891649
ethene;4-ethylhex-1-ene
CID 159399050
4,5-diethylhept-1-ene
CID 123746760

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;4-methylhex-1-ene?
The IUPAC name of sodium;hydride;4-methylhex-1-ene (CID 173048656) is sodium;hydride;4-methylhex-1-ene.
What is the SMILES notation for sodium;hydride;4-methylhex-1-ene?
The canonical SMILES for sodium;hydride;4-methylhex-1-ene is C=CCC(C)CC.[H-].[Na+].
What is the InChIKey of sodium;hydride;4-methylhex-1-ene?
The InChIKey is RWQTTXXWXQZNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.Na.H/c1-4-6-7(3)5-2;;/h4,7H,1,5-6H2,2-3H3;;/q;+1;-1.
What are the key properties of sodium;hydride;4-methylhex-1-ene?
sodium;hydride;4-methylhex-1-ene has a molecular weight of 122.19 g/mol, XLogP of -0.27, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;4-methylhex-1-ene is sourced from PubChem (CID 173048656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).