1-(hept-6-enoxymethyl)adamantane

C18H30O — CID 53248072

IUPAC1-(hept-6-enoxymethyl)adamantane
SMILESC=CCCCCCOCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H30O/c1-2-3-4-5-6-7-19-14-18-11-15-8-16(12-18)10-17(9-15)13-18/h2,15-17H,1,3-14H2
InChIKeyWVKWVQQJGWAEQZ-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.97
Rot. Bonds8

About 1-(hept-6-enoxymethyl)adamantane

1-(hept-6-enoxymethyl)adamantane (PubChem CID 53248072) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-(hept-6-enoxymethyl)adamantane.

Molecular Properties

Compound Name1-(hept-6-enoxymethyl)adamantane
PubChem CID53248072
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name1-(hept-6-enoxymethyl)adamantane
SMILESC=CCCCCCOCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H30O/c1-2-3-4-5-6-7-19-14-18-11-15-8-16(12-18)10-17(9-15)13-18/h2,15-17H,1,3-14H2
InChIKeyWVKWVQQJGWAEQZ-UHFFFAOYSA-N
XLogP4.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

12-dodec-11-enoxydodec-1-ene
CID 87325659
(2R,3S,4S,5R)-2-[6-(1-adamantylmethoxy)hexyl]piperidine-3,4,5-triol
CID 45379775
1-adamantyl undec-10-enoate
CID 139900272
oct-7-enoxymethylcyclohexane
CID 53248071
1-prop-2-enyladamantane
CID 10954060
3-methyl-3-(pent-4-enoxymethyl)oxetane
CID 154121324
4-(hept-6-enoxymethyl)piperidine
CID 107007705
11-[3-[10-(3-chloropropoxy)decoxy]propoxy]undec-1-ene
CID 142736704
11-(2-ethoxyethoxy)undec-1-ene
CID 142718569
11-[2-(2-ethoxyethoxy)ethoxy]undec-1-ene
CID 142718592
4-O-(1-adamantylmethyl) 1-O-decyl (E)-but-2-enedioate
CID 91715193
4-O-(1-adamantylmethyl) 1-O-dodecyl (E)-but-2-enedioate
CID 91715181

Frequently Asked Questions

What is the IUPAC name of 1-(hept-6-enoxymethyl)adamantane?
The IUPAC name of 1-(hept-6-enoxymethyl)adamantane (CID 53248072) is 1-(hept-6-enoxymethyl)adamantane.
What is the SMILES notation for 1-(hept-6-enoxymethyl)adamantane?
The canonical SMILES for 1-(hept-6-enoxymethyl)adamantane is C=CCCCCCOCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(hept-6-enoxymethyl)adamantane?
The InChIKey is WVKWVQQJGWAEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O/c1-2-3-4-5-6-7-19-14-18-11-15-8-16(12-18)10-17(9-15)13-18/h2,15-17H,1,3-14H2.
What are the key properties of 1-(hept-6-enoxymethyl)adamantane?
1-(hept-6-enoxymethyl)adamantane has a molecular weight of 262.44 g/mol, XLogP of 4.97, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hept-6-enoxymethyl)adamantane is sourced from PubChem (CID 53248072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).