1-[6-(methoxymethyl)-3-methylidenehepta-4,6-dien-2-yl]cyclohexan-1-ol

C16H26O2 — CID 123679515

IUPAC1-[6-(methoxymethyl)-3-methylidenehepta-4,6-dien-2-yl]cyclohexan-1-ol
SMILESC=C(C=CC(=C)C(C)C1(O)CCCCC1)COC
InChIInChI=1S/C16H26O2/c1-13(12-18-4)8-9-14(2)15(3)16(17)10-6-5-7-11-16/h8-9,15,17H,1-2,5-7,10-12H2,3-4H3
InChIKeyJQDKJIXZDXKXPE-UHFFFAOYSA-N
MW250.38 g/mol
LogP3.63
Rot. Bonds6

About 1-[6-(methoxymethyl)-3-methylidenehepta-4,6-dien-2-yl]cyclohexan-1-ol

1-[6-(methoxymethyl)-3-methylidenehepta-4,6-dien-2-yl]cyclohexan-1-ol (PubChem CID 123679515) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1-[6-(methoxymethyl)-3-methylidenehepta-4,6-dien-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[6-(methoxymethyl)-3-methylidenehepta-4,6-dien-2-yl]cyclohexan-1-ol
PubChem CID123679515
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name1-[6-(methoxymethyl)-3-methylidenehepta-4,6-dien-2-yl]cyclohexan-1-ol
SMILESC=C(C=CC(=C)C(C)C1(O)CCCCC1)COC
InChIInChI=1S/C16H26O2/c1-13(12-18-4)8-9-14(2)15(3)16(17)10-6-5-7-11-16/h8-9,15,17H,1-2,5-7,10-12H2,3-4H3
InChIKeyJQDKJIXZDXKXPE-UHFFFAOYSA-N
XLogP3.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(methoxymethyl)-3-methylidenehepta-4,6-dien-2-yl]cyclohexan-1-ol?
The IUPAC name of 1-[6-(methoxymethyl)-3-methylidenehepta-4,6-dien-2-yl]cyclohexan-1-ol (CID 123679515) is 1-[6-(methoxymethyl)-3-methylidenehepta-4,6-dien-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 1-[6-(methoxymethyl)-3-methylidenehepta-4,6-dien-2-yl]cyclohexan-1-ol?
The canonical SMILES for 1-[6-(methoxymethyl)-3-methylidenehepta-4,6-dien-2-yl]cyclohexan-1-ol is C=C(C=CC(=C)C(C)C1(O)CCCCC1)COC.
What is the InChIKey of 1-[6-(methoxymethyl)-3-methylidenehepta-4,6-dien-2-yl]cyclohexan-1-ol?
The InChIKey is JQDKJIXZDXKXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-13(12-18-4)8-9-14(2)15(3)16(17)10-6-5-7-11-16/h8-9,15,17H,1-2,5-7,10-12H2,3-4H3.
What are the key properties of 1-[6-(methoxymethyl)-3-methylidenehepta-4,6-dien-2-yl]cyclohexan-1-ol?
1-[6-(methoxymethyl)-3-methylidenehepta-4,6-dien-2-yl]cyclohexan-1-ol has a molecular weight of 250.38 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(methoxymethyl)-3-methylidenehepta-4,6-dien-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 123679515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).