1-hepta-1,6-dien-4-yloxyadamantane

C17H26O — CID 67157600

IUPAC1-hepta-1,6-dien-4-yloxyadamantane
SMILESC=CCC(CC=C)OC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H26O/c1-3-5-16(6-4-2)18-17-10-13-7-14(11-17)9-15(8-13)12-17/h3-4,13-16H,1-2,5-12H2
InChIKeyZPKQZGHCWPZNAE-UHFFFAOYSA-N
MW246.39 g/mol
LogP4.49
Rot. Bonds6

About 1-hepta-1,6-dien-4-yloxyadamantane

1-hepta-1,6-dien-4-yloxyadamantane (PubChem CID 67157600) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 1-hepta-1,6-dien-4-yloxyadamantane.

Molecular Properties

Compound Name1-hepta-1,6-dien-4-yloxyadamantane
PubChem CID67157600
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name1-hepta-1,6-dien-4-yloxyadamantane
SMILESC=CCC(CC=C)OC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H26O/c1-3-5-16(6-4-2)18-17-10-13-7-14(11-17)9-15(8-13)12-17/h3-4,13-16H,1-2,5-12H2
InChIKeyZPKQZGHCWPZNAE-UHFFFAOYSA-N
XLogP4.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1-adamantyloxy)prop-2-en-1-ol
CID 126575826
1-[(2R)-3-methylbutan-2-yl]oxyadamantane
CID 71229319
1-prop-2-enyladamantane
CID 10954060
1-adamantyl undec-10-enoate
CID 139900272
4-hepta-1,6-dien-4-yloxyhepta-1,6-diene
CID 23055063
1-[1-(4-ethenylphenoxy)ethoxy]adamantane
CID 59227044
(6R)-1-(1-iodoethoxy)tricyclo[4.3.1.13,8]undecane
CID 126641157
1-adamantyl ethenesulfonate
CID 20743856
1-(1-adamantyl)hex-5-en-2-ol
CID 115804707
1-(1-adamantyl)hex-5-en-2-amine
CID 104987696
1-adamantyl(prop-2-enyl)azanium
CID 7312723
bis(1-adamantyl)-prop-2-enylphosphane
CID 11633204

Frequently Asked Questions

What is the IUPAC name of 1-hepta-1,6-dien-4-yloxyadamantane?
The IUPAC name of 1-hepta-1,6-dien-4-yloxyadamantane (CID 67157600) is 1-hepta-1,6-dien-4-yloxyadamantane.
What is the SMILES notation for 1-hepta-1,6-dien-4-yloxyadamantane?
The canonical SMILES for 1-hepta-1,6-dien-4-yloxyadamantane is C=CCC(CC=C)OC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-hepta-1,6-dien-4-yloxyadamantane?
The InChIKey is ZPKQZGHCWPZNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-3-5-16(6-4-2)18-17-10-13-7-14(11-17)9-15(8-13)12-17/h3-4,13-16H,1-2,5-12H2.
What are the key properties of 1-hepta-1,6-dien-4-yloxyadamantane?
1-hepta-1,6-dien-4-yloxyadamantane has a molecular weight of 246.39 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hepta-1,6-dien-4-yloxyadamantane is sourced from PubChem (CID 67157600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).