carbonic acid;3-methylhex-1-ene

C8H16O3 — CID 161181273

IUPACcarbonic acid;3-methylhex-1-ene
SMILESC=CC(C)CCC.O=C(O)O
InChIInChI=1S/C7H14.CH2O3/c1-4-6-7(3)5-2;2-1(3)4/h5,7H,2,4,6H2,1,3H3;(H2,2,3,4)
InChIKeyUSMJEJDAVMUZPH-UHFFFAOYSA-N
MW160.21 g/mol
LogP2.83
Rot. Bonds3

About carbonic acid;3-methylhex-1-ene

carbonic acid;3-methylhex-1-ene (PubChem CID 161181273) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is carbonic acid;3-methylhex-1-ene.

Molecular Properties

Compound Namecarbonic acid;3-methylhex-1-ene
PubChem CID161181273
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Namecarbonic acid;3-methylhex-1-ene
SMILESC=CC(C)CCC.O=C(O)O
InChIInChI=1S/C7H14.CH2O3/c1-4-6-7(3)5-2;2-1(3)4/h5,7H,2,4,6H2,1,3H3;(H2,2,3,4)
InChIKeyUSMJEJDAVMUZPH-UHFFFAOYSA-N
XLogP2.83
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

butane;3,6-dimethylocta-1,7-diene;ethane;propane
CID 144723339
2,6-dimethyloct-7-enoic acid
CID 59229292
(2R,3S)-3-ethenyl-2-methylhexanoic acid
CID 101105350
N-[(3S)-3-methylpent-4-enyl]propanamide
CID 138511725
(3R)-3-ethenylhexanoic acid
CID 55301979
N,4-dimethylhex-5-enamide
CID 155715427
carboxy hydrogen carbonate;3-methylpent-1-ene
CID 175053878
(2R,3S)-3-hydroxy-2-propylpent-4-enoic acid
CID 135047760
2,5-dimethylhept-6-enal
CID 88788284
acetylene;3-methylhept-1-ene;propane
CID 144520771
(2R,3R)-2-bromo-3-ethenylhexanoic acid
CID 5324950
6-methyloct-7-enoate
CID 140706101

Frequently Asked Questions

What is the IUPAC name of carbonic acid;3-methylhex-1-ene?
The IUPAC name of carbonic acid;3-methylhex-1-ene (CID 161181273) is carbonic acid;3-methylhex-1-ene.
What is the SMILES notation for carbonic acid;3-methylhex-1-ene?
The canonical SMILES for carbonic acid;3-methylhex-1-ene is C=CC(C)CCC.O=C(O)O.
What is the InChIKey of carbonic acid;3-methylhex-1-ene?
The InChIKey is USMJEJDAVMUZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.CH2O3/c1-4-6-7(3)5-2;2-1(3)4/h5,7H,2,4,6H2,1,3H3;(H2,2,3,4).
What are the key properties of carbonic acid;3-methylhex-1-ene?
carbonic acid;3-methylhex-1-ene has a molecular weight of 160.21 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;3-methylhex-1-ene is sourced from PubChem (CID 161181273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).