carbonic acid;2,3-dimethylhept-2-ene

C10H20O3 — CID 159232241

IUPACcarbonic acid;2,3-dimethylhept-2-ene
SMILESCCCCC(C)=C(C)C.O=C(O)O
InChIInChI=1S/C9H18.CH2O3/c1-5-6-7-9(4)8(2)3;2-1(3)4/h5-7H2,1-4H3;(H2,2,3,4)
InChIKeyKTAZURJINFCPNQ-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.76
Rot. Bonds3

About carbonic acid;2,3-dimethylhept-2-ene

carbonic acid;2,3-dimethylhept-2-ene (PubChem CID 159232241) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is carbonic acid;2,3-dimethylhept-2-ene.

Molecular Properties

Compound Namecarbonic acid;2,3-dimethylhept-2-ene
PubChem CID159232241
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Namecarbonic acid;2,3-dimethylhept-2-ene
SMILESCCCCC(C)=C(C)C.O=C(O)O
InChIInChI=1S/C9H18.CH2O3/c1-5-6-7-9(4)8(2)3;2-1(3)4/h5-7H2,1-4H3;(H2,2,3,4)
InChIKeyKTAZURJINFCPNQ-UHFFFAOYSA-N
XLogP3.76
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.76
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

9,10-dimethylundec-9-en-5-one
CID 140691978
2,3-dimethyltridec-2-ene
CID 22376033
2,3-dimethylhept-2-ene;ethane;2-methylbutane
CID 163368789
3-methylhept-2-en-2-ol
CID 73309482
2,3,8,9-tetramethyldeca-2,8-diene
CID 14968821
carbonic acid;bis(hexane)
CID 173367789
acetic acid;pentanoic acid
CID 87061456
8,9-dimethyldec-8-en-3-one
CID 141270649
(2Z)-2-(1-hydroxyethylidene)hexanoic acid
CID 54715870
copper;2-oxohexanoic acid
CID 88811226
(Z)-2,3-dimethyltetradec-2-enoic acid
CID 87282593
2,3-dimethyldec-2-enoic acid
CID 79729162

Frequently Asked Questions

What is the IUPAC name of carbonic acid;2,3-dimethylhept-2-ene?
The IUPAC name of carbonic acid;2,3-dimethylhept-2-ene (CID 159232241) is carbonic acid;2,3-dimethylhept-2-ene.
What is the SMILES notation for carbonic acid;2,3-dimethylhept-2-ene?
The canonical SMILES for carbonic acid;2,3-dimethylhept-2-ene is CCCCC(C)=C(C)C.O=C(O)O.
What is the InChIKey of carbonic acid;2,3-dimethylhept-2-ene?
The InChIKey is KTAZURJINFCPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.CH2O3/c1-5-6-7-9(4)8(2)3;2-1(3)4/h5-7H2,1-4H3;(H2,2,3,4).
What are the key properties of carbonic acid;2,3-dimethylhept-2-ene?
carbonic acid;2,3-dimethylhept-2-ene has a molecular weight of 188.27 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;2,3-dimethylhept-2-ene is sourced from PubChem (CID 159232241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).