6-methoxy-6-methylhept-1-en-4-ol

C9H18O2 — CID 103027433

IUPAC6-methoxy-6-methylhept-1-en-4-ol
SMILESC=CCC(O)CC(C)(C)OC
InChIInChI=1S/C9H18O2/c1-5-6-8(10)7-9(2,3)11-4/h5,8,10H,1,6-7H2,2-4H3
InChIKeyNIDPNNDARIEHSC-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.74
Rot. Bonds5

About 6-methoxy-6-methylhept-1-en-4-ol

6-methoxy-6-methylhept-1-en-4-ol (PubChem CID 103027433) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 6-methoxy-6-methylhept-1-en-4-ol.

Molecular Properties

Compound Name6-methoxy-6-methylhept-1-en-4-ol
PubChem CID103027433
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name6-methoxy-6-methylhept-1-en-4-ol
SMILESC=CCC(O)CC(C)(C)OC
InChIInChI=1S/C9H18O2/c1-5-6-8(10)7-9(2,3)11-4/h5,8,10H,1,6-7H2,2-4H3
InChIKeyNIDPNNDARIEHSC-UHFFFAOYSA-N
XLogP1.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-methoxy-7-methyloct-1-en-4-ol
CID 103035568
5-methoxy-5-methylhex-1-en-3-ol
CID 103027593
6-methoxy-6-methylheptane-1,2,4-triol
CID 19868348
(3S)-hex-5-en-3-ol
CID 10749148
hex-5-en-3-ol
CID 158321330
(2S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 11148647
(2R)-1-propan-2-yloxypent-4-en-2-ol
CID 130127578
2-[(4-methoxy-4-methylpentan-2-yl)-prop-2-enylamino]acetic acid
CID 79285806
benzoic acid;2-methylhept-6-ene-2,4-diol
CID 66896154
6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridec-1-en-4-ol
CID 154477195
1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypent-4-en-2-ol
CID 10955810
(2R)-1,1-dimethoxypent-4-en-2-ol
CID 102353171

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-6-methylhept-1-en-4-ol?
The IUPAC name of 6-methoxy-6-methylhept-1-en-4-ol (CID 103027433) is 6-methoxy-6-methylhept-1-en-4-ol.
What is the SMILES notation for 6-methoxy-6-methylhept-1-en-4-ol?
The canonical SMILES for 6-methoxy-6-methylhept-1-en-4-ol is C=CCC(O)CC(C)(C)OC.
What is the InChIKey of 6-methoxy-6-methylhept-1-en-4-ol?
The InChIKey is NIDPNNDARIEHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-5-6-8(10)7-9(2,3)11-4/h5,8,10H,1,6-7H2,2-4H3.
What are the key properties of 6-methoxy-6-methylhept-1-en-4-ol?
6-methoxy-6-methylhept-1-en-4-ol has a molecular weight of 158.24 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-6-methylhept-1-en-4-ol is sourced from PubChem (CID 103027433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).