(6R)-6-methyl-7-(2-methyl-1,3-dioxolan-2-yl)heptanal

C12H22O3 — CID 11745985

IUPAC(6R)-6-methyl-7-(2-methyl-1,3-dioxolan-2-yl)heptanal
SMILESC[C@H](CCCCC=O)CC1(C)OCCO1
InChIInChI=1S/C12H22O3/c1-11(6-4-3-5-7-13)10-12(2)14-8-9-15-12/h7,11H,3-6,8-10H2,1-2H3/t11-/m1/s1
InChIKeyDRTSBXATODPCDT-LLVKDONJSA-N
MW214.30 g/mol
LogP2.53
Rot. Bonds7

About (6R)-6-methyl-7-(2-methyl-1,3-dioxolan-2-yl)heptanal

(6R)-6-methyl-7-(2-methyl-1,3-dioxolan-2-yl)heptanal (PubChem CID 11745985) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is (6R)-6-methyl-7-(2-methyl-1,3-dioxolan-2-yl)heptanal.

Molecular Properties

Compound Name(6R)-6-methyl-7-(2-methyl-1,3-dioxolan-2-yl)heptanal
PubChem CID11745985
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name(6R)-6-methyl-7-(2-methyl-1,3-dioxolan-2-yl)heptanal
SMILESC[C@H](CCCCC=O)CC1(C)OCCO1
InChIInChI=1S/C12H22O3/c1-11(6-4-3-5-7-13)10-12(2)14-8-9-15-12/h7,11H,3-6,8-10H2,1-2H3/t11-/m1/s1
InChIKeyDRTSBXATODPCDT-LLVKDONJSA-N
XLogP2.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R)-5-iodo-2-methylpentyl]-2-methyl-1,3-dioxolane
CID 10990159
6-(2-methyl-1,3-dioxolan-2-yl)hexanal
CID 11052346
methyl (3R,8R)-3-hydroxy-8-methyl-9-(2-methyl-1,3-dioxolan-2-yl)nonanoate
CID 10401850
8-(2-heptan-2-yl-1,3-dioxolan-2-yl)octanal
CID 87856068
12-methyltridecanal
CID 146297718
22-methyltricosanal
CID 86049143
18-methylnonadecanal
CID 22123977
alumane;6-methylheptanal
CID 174999973
methane;12-methyltridecanal
CID 175307429
12-hydroxytridecanal
CID 11961599
(E)-14-methylhexadec-8-enal
CID 6073809
2-methyl-2-[1-(2-methyl-1,3-dioxolan-2-yl)heptan-2-yl]-1,3-dioxolane
CID 13347477

Frequently Asked Questions

What is the IUPAC name of (6R)-6-methyl-7-(2-methyl-1,3-dioxolan-2-yl)heptanal?
The IUPAC name of (6R)-6-methyl-7-(2-methyl-1,3-dioxolan-2-yl)heptanal (CID 11745985) is (6R)-6-methyl-7-(2-methyl-1,3-dioxolan-2-yl)heptanal.
What is the SMILES notation for (6R)-6-methyl-7-(2-methyl-1,3-dioxolan-2-yl)heptanal?
The canonical SMILES for (6R)-6-methyl-7-(2-methyl-1,3-dioxolan-2-yl)heptanal is C[C@H](CCCCC=O)CC1(C)OCCO1.
What is the InChIKey of (6R)-6-methyl-7-(2-methyl-1,3-dioxolan-2-yl)heptanal?
The InChIKey is DRTSBXATODPCDT-LLVKDONJSA-N. The full InChI is InChI=1S/C12H22O3/c1-11(6-4-3-5-7-13)10-12(2)14-8-9-15-12/h7,11H,3-6,8-10H2,1-2H3/t11-/m1/s1.
What are the key properties of (6R)-6-methyl-7-(2-methyl-1,3-dioxolan-2-yl)heptanal?
(6R)-6-methyl-7-(2-methyl-1,3-dioxolan-2-yl)heptanal has a molecular weight of 214.30 g/mol, XLogP of 2.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-methyl-7-(2-methyl-1,3-dioxolan-2-yl)heptanal is sourced from PubChem (CID 11745985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).