3-methoxy-3-propan-2-ylhept-6-en-1-ol

C11H22O2 — CID 23384935

IUPAC3-methoxy-3-propan-2-ylhept-6-en-1-ol
SMILESC=CCCC(CCO)(OC)C(C)C
InChIInChI=1S/C11H22O2/c1-5-6-7-11(13-4,8-9-12)10(2)3/h5,10,12H,1,6-9H2,2-4H3
InChIKeyVTWYTPVCYLLTRL-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.38
Rot. Bonds7

About 3-methoxy-3-propan-2-ylhept-6-en-1-ol

3-methoxy-3-propan-2-ylhept-6-en-1-ol (PubChem CID 23384935) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 3-methoxy-3-propan-2-ylhept-6-en-1-ol.

Molecular Properties

Compound Name3-methoxy-3-propan-2-ylhept-6-en-1-ol
PubChem CID23384935
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name3-methoxy-3-propan-2-ylhept-6-en-1-ol
SMILESC=CCCC(CCO)(OC)C(C)C
InChIInChI=1S/C11H22O2/c1-5-6-7-11(13-4,8-9-12)10(2)3/h5,10,12H,1,6-9H2,2-4H3
InChIKeyVTWYTPVCYLLTRL-UHFFFAOYSA-N
XLogP2.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-propan-2-ylhept-6-en-1-ol?
The IUPAC name of 3-methoxy-3-propan-2-ylhept-6-en-1-ol (CID 23384935) is 3-methoxy-3-propan-2-ylhept-6-en-1-ol.
What is the SMILES notation for 3-methoxy-3-propan-2-ylhept-6-en-1-ol?
The canonical SMILES for 3-methoxy-3-propan-2-ylhept-6-en-1-ol is C=CCCC(CCO)(OC)C(C)C.
What is the InChIKey of 3-methoxy-3-propan-2-ylhept-6-en-1-ol?
The InChIKey is VTWYTPVCYLLTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-5-6-7-11(13-4,8-9-12)10(2)3/h5,10,12H,1,6-9H2,2-4H3.
What are the key properties of 3-methoxy-3-propan-2-ylhept-6-en-1-ol?
3-methoxy-3-propan-2-ylhept-6-en-1-ol has a molecular weight of 186.29 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-propan-2-ylhept-6-en-1-ol is sourced from PubChem (CID 23384935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).