carbonic acid;3-methylocta-1,4,7-triene

C10H16O3 — CID 88742422

IUPACcarbonic acid;3-methylocta-1,4,7-triene
SMILESC=CCC=CC(C)C=C.O=C(O)O
InChIInChI=1S/C9H14.CH2O3/c1-4-6-7-8-9(3)5-2;2-1(3)4/h4-5,7-9H,1-2,6H2,3H3;(H2,2,3,4)
InChIKeyDEBZOEBDUBWRDE-UHFFFAOYSA-N
MW184.23 g/mol
LogP3.16
Rot. Bonds4

About carbonic acid;3-methylocta-1,4,7-triene

carbonic acid;3-methylocta-1,4,7-triene (PubChem CID 88742422) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is carbonic acid;3-methylocta-1,4,7-triene.

Molecular Properties

Compound Namecarbonic acid;3-methylocta-1,4,7-triene
PubChem CID88742422
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Namecarbonic acid;3-methylocta-1,4,7-triene
SMILESC=CCC=CC(C)C=C.O=C(O)O
InChIInChI=1S/C9H14.CH2O3/c1-4-6-7-8-9(3)5-2;2-1(3)4/h4-5,7-9H,1-2,6H2,3H3;(H2,2,3,4)
InChIKeyDEBZOEBDUBWRDE-UHFFFAOYSA-N
XLogP3.16
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 53.16
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

(4E)-3-ethenylocta-4,7-dienoic acid
CID 88742421
acetic acid;11-methyltrideca-9,12-dien-1-ol
CID 71404204
2,6-dimethylocta-1,4,7-triene
CID 71437037
acetic acid;hexa-1,4-diene
CID 174398643
3-methylocta-1,4-diene
CID 123442447
9-methylundeca-1,3,7,10-tetraene
CID 154197788
(4E)-2-methylideneocta-4,7-dienoic acid
CID 135037319
(4E,8E)-3,7-dimethyldeca-1,4,8-triene
CID 22679021
(3S,4E)-3-methylhexa-1,4-diene
CID 173019569
deca-3,6,9-trien-2-one
CID 139932510
penta-1,4-dienyl hydrogen carbonate
CID 141205856
octa-2,4,7-trienoic acid
CID 173345547

Frequently Asked Questions

What is the IUPAC name of carbonic acid;3-methylocta-1,4,7-triene?
The IUPAC name of carbonic acid;3-methylocta-1,4,7-triene (CID 88742422) is carbonic acid;3-methylocta-1,4,7-triene.
What is the SMILES notation for carbonic acid;3-methylocta-1,4,7-triene?
The canonical SMILES for carbonic acid;3-methylocta-1,4,7-triene is C=CCC=CC(C)C=C.O=C(O)O.
What is the InChIKey of carbonic acid;3-methylocta-1,4,7-triene?
The InChIKey is DEBZOEBDUBWRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14.CH2O3/c1-4-6-7-8-9(3)5-2;2-1(3)4/h4-5,7-9H,1-2,6H2,3H3;(H2,2,3,4).
What are the key properties of carbonic acid;3-methylocta-1,4,7-triene?
carbonic acid;3-methylocta-1,4,7-triene has a molecular weight of 184.23 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;3-methylocta-1,4,7-triene is sourced from PubChem (CID 88742422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).